ethyl 4-[(2E)-2-[1-azanyl-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-1-sulfanylidene-propan-2-ylidene]hydrazinyl]benzoate

Systemtic Name: ethyl 4-[(2E)-2-[1-azanyl-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-1-sulfanylidene-propan-2-ylidene]hydrazinyl]benzoate Openeye Name: ethyl 4-[(2E)-2-[1-carbamothioyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethylidene]hydrazino]benzoate CAS Name: 4-[(2E)-2-[1-amino-3-(4-methyl-1-piperazinyl)-3-oxo-1-sulfanylidenepropan-2-ylidene]hydrazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2E)-2-[1-amino-3-(4-methylpiperazin-1-yl)-3-oxo-1-sulfanylidenepropan-2-ylidene]hydrazinyl]benzoate Traditional Name: 4-[(N'E)-N'-[2-amino-1-(4-methylpiperazine-1-carbonyl)-2-thioxo-ethylidene]hydrazino]benzoic acid ethyl ester Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NN=C(C(=S)N)C(=O)N2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N/N=C(/C(=S)N)\C(=O)N2CCN(CC2)C

InChI

InChI=1S/C17H23N5O3S/c1-3-25-17(24)12-4-6-13(7-5-12)19-20-14(15(18)26)16(23)22-10-8-21(2)9-11-22/h4-7,19H,3,8-11H2,1-2H3,(H2,18,26)/b20-14-