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

Systemtic Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Cl)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

InChI

InChI=1S/C18H16ClN3O2S/c1-10(12-5-3-4-6-14(12)19)20-16(23)11-7-8-13-15(9-11)21-18(25)22(2)17(13)24/h3-10H,1-2H3,(H,20,23)(H,21,25)/t10-/m0/s1