N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-3-(4-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O2S/c26-20-9-6-18(7-10-20)17-30-24(32)21-11-8-19(16-22(21)28-25(30)33)23(31)27-12-5-15-29-13-3-1-2-4-14-29/h6-11,16H,1-5,12-15,17H2,(H,27,31)(H,28,33)