1-(2-ethyl-6-methyl-phenyl)-3-[[5-(4-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[5-(4-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene]amino]thiourea Openeye Name: 1-[[1-allyl-5-[(4-methyl-1-piperidyl)sulfonyl]-2-oxo-indolin-3-ylidene]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[5-[(4-methyl-1-piperidinyl)sulfonyl]-2-oxo-1-prop-2-enyl-3-indolylidene]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[5-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-1-prop-2-enylindol-3-ylidene]amino]thiourea Traditional Name: 1-[[1-allyl-2-keto-5-(4-methylpiperidino)sulfonyl-indolin-3-ylidene]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C27H33N5O3S2 MolecularWeight: 539.71262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NN=C2C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C)N(C2=O)CC=C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NN=C2C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C)N(C2=O)CC=C)C

InChI

InChI=1S/C27H33N5O3S2/c1-5-14-32-23-11-10-21(37(34,35)31-15-12-18(3)13-16-31)17-22(23)25(26(32)33)29-30-27(36)28-24-19(4)8-7-9-20(24)6-2/h5,7-11,17-18H,1,6,12-16H2,2-4H3,(H2,28,30,36)