1-(2,6-dimethylphenyl)-3-[[2-oxidanylidene-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[[2-oxidanylidene-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-3-ylidene]amino]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[[2-oxo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-3-ylidene]amino]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[[2-oxo-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-indolylidene]amino]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[[2-oxo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-3-ylidene]amino]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[[2-keto-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-3-ylidene]amino]thiourea Formula: C28H31N6OS+ MolecularWeight: 499.65034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N6OS/c1-20-9-8-10-21(2)25(20)29-28(36)31-30-26-23-13-6-7-14-24(23)34(27(26)35)19-32-15-17-33(18-16-32)22-11-4-3-5-12-22/h3-14H,15-19H2,1-2H3,(H2,29,31,36)/p+1