butyl N-[3-[4-[[6-(ethylcarbamoylamino)-4-oxidanylidene-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-propyl-thiophen-2-yl]sulfonylcarbamate; ethane

Systemtic Name: butyl N-[3-[4-[[6-(ethylcarbamoylamino)-4-oxidanylidene-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-propyl-thiophen-2-yl]sulfonylcarbamate; ethane Openeye Name: butyl N-[[3-[4-[[6-(ethylcarbamoylamino)-4-oxo-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-propyl-2-thienyl]sulfonyl]carbamate; ethane CAS Name: ethane; N-[[3-[4-[[6-(ethylcarbamoylamino)-4-oxo-2-propyl-3-quinazolinyl]methyl]phenyl]-5-propyl-2-thiophenyl]sulfonyl]carbamic acid butyl ester IUPAC Name: butyl N-[3-[4-[[6-(ethylcarbamoylamino)-4-oxo-2-propylquinazolin-3-yl]methyl]phenyl]-5-propylthiophen-2-yl]sulfonylcarbamate; ethane Traditional Name: ethane; N-[[3-[4-[[6-(ethylcarbamoylamino)-4-keto-2-propyl-quinazolin-3-yl]methyl]phenyl]-5-propyl-2-thienyl]sulfonyl]carbamic acid butyl ester Formula: C35H47N5O6S2 MolecularWeight: 697.90758

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CCC)C2=CC=C(C=C2)CN3C(=NC4=C(C3=O)C=C(C=C4)NC(=O)NCC)CCC

Isomeric SMILES

CC.CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CCC)C2=CC=C(C=C2)CN3C(=NC4=C(C3=O)C=C(C=C4)NC(=O)NCC)CCC

InChI

InChI=1S/C33H41N5O6S2.C2H6/c1-5-9-18-44-33(41)37-46(42,43)31-26(20-25(45-31)10-6-2)23-14-12-22(13-15-23)21-38-29(11-7-3)36-28-17-16-24(19-27(28)30(38)39)35-32(40)34-8-4;1-2/h12-17,19-20H,5-11,18,21H2,1-4H3,(H,37,41)(H2,34,35,40);1-2H3