N-[(3-chlorophenyl)methyl]-4-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]butanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]butanamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]butanamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-quinazolinyl]butanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylquinazolin-3-yl]butanamide Traditional Name: N-(3-chlorobenzyl)-4-[4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]quinazolin-3-yl]butyramide Formula: C29H29ClN4O3S MolecularWeight: 549.08356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C29H29ClN4O3S/c30-23-11-6-10-22(18-23)19-32-26(35)14-7-17-34-28(37)24-12-4-5-13-25(24)33-29(34)38-20-27(36)31-16-15-21-8-2-1-3-9-21/h1-6,8-13,18H,7,14-17,19-20H2,(H,31,36)(H,32,35)