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

Systemtic Name: N-(2-acetamidoethyl)-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-acetamidoethyl)-3-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2-acetamidoethyl)-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-acetamidoethyl)-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2-acetamidoethyl)-3-(4-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O3S/c1-12(26)22-8-9-23-18(27)14-4-7-16-17(10-14)24-20(29)25(19(16)28)11-13-2-5-15(21)6-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,26)(H,23,27)(H,24,29)