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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-keto-1-(piperidinomethyl)indolin-3-ylidene]amino]thiourea Formula: C22H24ClN5OS MolecularWeight: 441.97686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCCCC4

InChI

InChI=1S/C22H24ClN5OS/c1-15-17(23)9-7-10-18(15)24-22(30)26-25-20-16-8-3-4-11-19(16)28(21(20)29)14-27-12-5-2-6-13-27/h3-4,7-11H,2,5-6,12-14H2,1H3,(H2,24,26,30)