1-[[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-3-(3-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[[1-(azepan-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[[1-(azepan-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[[1-(1-azepanylmethyl)-2-oxo-3-indolylidene]amino]-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[[1-(azepan-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[[1-(azepan-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C23H26ClN5OS MolecularWeight: 456.00344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCCCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCCCCC4

InChI

InChI=1S/C23H26ClN5OS/c1-16-18(24)10-8-11-19(16)25-23(31)27-26-21-17-9-4-5-12-20(17)29(22(21)30)15-28-13-6-2-3-7-14-28/h4-5,8-12H,2-3,6-7,13-15H2,1H3,(H2,25,27,31)