1-(2-methylphenyl)-3-[[(Z)-(5-piperidin-1-ylsulfonylindol-3-ylidene)methyl]amino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[[(Z)-(5-piperidin-1-ylsulfonylindol-3-ylidene)methyl]amino]thiourea Openeye Name: 1-(o-tolyl)-3-[[(Z)-[5-(1-piperidylsulfonyl)indol-3-ylidene]methyl]amino]thiourea CAS Name: 1-(2-methylphenyl)-3-[[(Z)-[5-(1-piperidinylsulfonyl)-3-indolylidene]methyl]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[[(Z)-(5-piperidin-1-ylsulfonylindol-3-ylidene)methyl]amino]thiourea Traditional Name: 1-(o-tolyl)-3-[[(Z)-(5-piperidinosulfonylindol-3-ylidene)methyl]amino]thiourea Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC=C2C=NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NN/C=C/2\C=NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N5O2S2/c1-16-7-3-4-8-20(16)25-22(30)26-24-15-17-14-23-21-10-9-18(13-19(17)21)31(28,29)27-11-5-2-6-12-27/h3-4,7-10,13-15,24H,2,5-6,11-12H2,1H3,(H2,25,26,30)/b17-15+