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

Systemtic Name: 1-[[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-[[1-(azepan-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-[[1-(1-azepanylmethyl)-2-oxo-3-indolylidene]amino]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-[[1-(azepan-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[[1-(azepan-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-3-(2,3-dimethylphenyl)thiourea Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCCCCC4)C

InChI

InChI=1S/C24H29N5OS/c1-17-10-9-12-20(18(17)2)25-24(31)27-26-22-19-11-5-6-13-21(19)29(23(22)30)16-28-14-7-3-4-8-15-28/h5-6,9-13H,3-4,7-8,14-16H2,1-2H3,(H2,25,27,31)