1-(2-methylphenyl)-3-[[2-oxidanylidene-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[[2-oxidanylidene-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indol-3-ylidene]amino]thiourea Openeye Name: 1-(o-tolyl)-3-[[2-oxo-1-[[4-(2-pyridyl)piperazin-1-yl]methyl]indolin-3-ylidene]amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[2-oxo-1-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-indolylidene]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[[2-oxo-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indol-3-ylidene]amino]thiourea Traditional Name: 1-[[2-keto-1-[[4-(2-pyridyl)piperazino]methyl]indolin-3-ylidene]amino]-3-(o-tolyl)thiourea Formula: C26H27N7OS MolecularWeight: 485.60388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H27N7OS/c1-19-8-2-4-10-21(19)28-26(35)30-29-24-20-9-3-5-11-22(20)33(25(24)34)18-31-14-16-32(17-15-31)23-12-6-7-13-27-23/h2-13H,14-18H2,1H3,(H2,28,30,35)