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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-3-(2-diethylaminoethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-3-(2-diethylaminoethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-3-(2-diethylaminoethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-3-(2-diethylaminoethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-3-(2-diethylaminoethyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl)NC1=S

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)Cl)NC1=S

InChI

InChI=1S/C23H27ClN4O2S/c1-3-27(4-2)13-14-28-22(30)19-10-7-17(15-20(19)26-23(28)31)21(29)25-12-11-16-5-8-18(24)9-6-16/h5-10,15H,3-4,11-14H2,1-2H3,(H,25,29)(H,26,31)