N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-3-cyclohexyl-2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxamide Formula: C29H33ClN4O3S MolecularWeight: 553.11532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC(=O)NC5CCCC5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC(=O)NC5CCCC5

InChI

InChI=1S/C29H33ClN4O3S/c30-21-8-6-7-19(15-21)17-31-27(36)20-13-14-24-25(16-20)33-29(34(28(24)37)23-11-2-1-3-12-23)38-18-26(35)32-22-9-4-5-10-22/h6-8,13-16,22-23H,1-5,9-12,17-18H2,(H,31,36)(H,32,35)