1-(2,3-dimethylphenyl)-3-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]thiourea Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)C

InChI

InChI=1S/C23H27N5OS/c1-16-9-8-11-19(17(16)2)24-23(30)26-25-21-18-10-4-5-12-20(18)28(22(21)29)15-27-13-6-3-7-14-27/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H2,24,26,30)/p+1