N-[3-methyl-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[(4-methyl-3-morpholinosulfonyl-phenyl)carbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[(4-methyl-3-morpholinosulfonyl-phenyl)carbamoyl]propyl]thiophene-2-carboxamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CS2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CS2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O5S2/c1-14(2)19(23-20(25)17-5-4-12-30-17)21(26)22-16-7-6-15(3)18(13-16)31(27,28)24-8-10-29-11-9-24/h4-7,12-14,19H,8-11H2,1-3H3,(H,22,26)(H,23,25)