ethyl N-[2-[3-[(2R)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate

Systemtic Name: ethyl N-[2-[3-[(2R)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-[3-[(1R)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]carbamate CAS Name: N-[2-[[3-[(2R)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-[(2R)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[[3-[(1R)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]acetyl]carbamic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C(C)CCCC(C)C

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1[C@H](C)CCCC(C)C

InChI

InChI=1S/C21H29N3O4S/c1-5-28-21(27)23-18(25)13-29-20-22-17-12-7-6-11-16(17)19(26)24(20)15(4)10-8-9-14(2)3/h6-7,11-12,14-15H,5,8-10,13H2,1-4H3,(H,23,25,27)/t15-/m1/s1