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

Systemtic Name: N-[1-(3-chlorophenyl)propyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[1-(3-chlorophenyl)propyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(3-chlorophenyl)propyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(3-chlorophenyl)propyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[1-(3-chlorophenyl)propyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-3-16(12-6-5-7-14(21)10-12)22-18(25)13-8-9-15-17(11-13)23-20(27)24(4-2)19(15)26/h5-11,16H,3-4H2,1-2H3,(H,22,25)(H,23,27)