ethyl (E)-4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-keto-but-2-enoic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3S/c1-2-30-22(29)14-13-21(28)25-24(31)27-17-15-26(16-18-27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,23H,2,15-18H2,1H3,(H,25,28,31)/b14-13+