7-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[1-(2-chlorophenyl)ethyl]-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

CC(C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H21ClN4O2S/c1-13(15-4-2-3-5-17(15)22)25-8-10-26(11-9-25)20(28)14-6-7-16-18(12-14)23-21(29)24-19(16)27/h2-7,12-13H,8-11H2,1H3,(H2,23,24,27,29)