1-(2,4-dimethylphenyl)-3-[[1-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[[1-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[[1-(morpholin-4-ium-4-ylmethyl)-2-oxo-indolin-3-ylidene]amino]thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[[1-(4-morpholin-4-iumylmethyl)-2-oxo-3-indolylidene]amino]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[[1-(morpholin-4-ium-4-ylmethyl)-2-oxoindol-3-ylidene]amino]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[[2-keto-1-(morpholin-4-ium-4-ylmethyl)indolin-3-ylidene]amino]thiourea Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCOCC4)C

InChI

InChI=1S/C22H25N5O2S/c1-15-7-8-18(16(2)13-15)23-22(30)25-24-20-17-5-3-4-6-19(17)27(21(20)28)14-26-9-11-29-12-10-26/h3-8,13H,9-12,14H2,1-2H3,(H2,23,25,30)/p+1