methyl 4-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2,3-dimethyl-1-(phenylmethyl)-5-indolyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-2,3-dimethylindole-5-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O3S/c1-17-18(2)30(16-19-7-5-4-6-8-19)24-14-11-21(15-23(17)24)25(31)29-27(34)28-22-12-9-20(10-13-22)26(32)33-3/h4-15H,16H2,1-3H3,(H2,28,29,31,34)