3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H21ClN4O2S/c22-15-4-3-5-16(14-15)24-10-12-25(13-11-24)19(27)8-9-26-20(28)17-6-1-2-7-18(17)23-21(26)29/h1-7,14H,8-13H2,(H,23,29)