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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-4-oxidanylidene-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-allyl-3-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-4-oxo-N-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-allyl-3-(4-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O2S/c1-2-9-21-17(24)13-5-8-15-16(10-13)22-19(26)23(18(15)25)11-12-3-6-14(20)7-4-12/h2-8,10H,1,9,11H2,(H,21,24)(H,22,26)