7-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C25H26N4O3S/c1-3-11-29-24(32)20-10-9-19(16-21(20)26-25(29)33)23(31)28-14-12-27(13-15-28)22(30)18-7-5-17(4-2)6-8-18/h3,5-10,16H,1,4,11-15H2,2H3,(H,26,33)