7-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[4-(diphenylmethyl)piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-(4-benzhydrylpiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(4-benzhydrylpiperazine-1-carbonyl)-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-(4-benzhydrylpiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C29H27N4O2S- MolecularWeight: 495.61528

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C29H28N4O2S/c1-2-15-33-28(35)24-14-13-23(20-25(24)30-29(33)36)27(34)32-18-16-31(17-19-32)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h2-14,20,26,35H,1,15-19H2/p-1