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

Systemtic Name: 1-(2-methoxyphenyl)-3-[[(Z)-(5-piperidin-1-ylsulfonylindol-3-ylidene)methyl]amino]thiourea Openeye Name: 1-(2-methoxyphenyl)-3-[[(Z)-[5-(1-piperidylsulfonyl)indol-3-ylidene]methyl]amino]thiourea CAS Name: 1-(2-methoxyphenyl)-3-[[(Z)-[5-(1-piperidinylsulfonyl)-3-indolylidene]methyl]amino]thiourea IUPAC Name: 1-(2-methoxyphenyl)-3-[[(Z)-(5-piperidin-1-ylsulfonylindol-3-ylidene)methyl]amino]thiourea Traditional Name: 1-(2-methoxyphenyl)-3-[[(Z)-(5-piperidinosulfonylindol-3-ylidene)methyl]amino]thiourea Formula: C22H25N5O3S2 MolecularWeight: 471.5956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NNC=C2C=NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NN/C=C/2\C=NC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25N5O3S2/c1-30-21-8-4-3-7-20(21)25-22(31)26-24-15-16-14-23-19-10-9-17(13-18(16)19)32(28,29)27-11-5-2-6-12-27/h3-4,7-10,13-15,24H,2,5-6,11-12H2,1H3,(H2,25,26,31)/b16-15+