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

Systemtic Name: 1-(2-methylphenyl)-3-[[2-oxidanylidene-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-3-ylidene]amino]thiourea Openeye Name: 1-(o-tolyl)-3-[[2-oxo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-3-ylidene]amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[2-oxo-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-indolylidene]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[[2-oxo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-3-ylidene]amino]thiourea Traditional Name: 1-[[2-keto-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-3-ylidene]amino]-3-(o-tolyl)thiourea Formula: C27H29N6OS+ MolecularWeight: 485.62376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N6OS/c1-20-9-5-7-13-23(20)28-27(35)30-29-25-22-12-6-8-14-24(22)33(26(25)34)19-31-15-17-32(18-16-31)21-10-3-2-4-11-21/h2-14H,15-19H2,1H3,(H2,28,30,35)/p+1