1-(3-chloranyl-2-methyl-phenyl)-3-[[2-oxidanylidene-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[2-oxidanylidene-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-oxo-1-[(4-phenylpiperazin-1-yl)methyl]indolin-3-ylidene]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[2-oxo-1-[(4-phenyl-1-piperazinyl)methyl]-3-indolylidene]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[2-oxo-1-[(4-phenylpiperazin-1-yl)methyl]indol-3-ylidene]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-keto-1-[(4-phenylpiperazino)methyl]indolin-3-ylidene]amino]thiourea Formula: C27H27ClN6OS MolecularWeight: 519.06088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H27ClN6OS/c1-19-22(28)11-7-12-23(19)29-27(36)31-30-25-21-10-5-6-13-24(21)34(26(25)35)18-32-14-16-33(17-15-32)20-8-3-2-4-9-20/h2-13H,14-18H2,1H3,(H2,29,31,36)