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

Systemtic Name: butyl 4-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[(1-benzyl-2,3-dimethylindole-5-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=CC=C4

InChI

InChI=1S/C30H31N3O3S/c1-4-5-17-36-29(35)23-11-14-25(15-12-23)31-30(37)32-28(34)24-13-16-27-26(18-24)20(2)21(3)33(27)19-22-9-7-6-8-10-22/h6-16,18H,4-5,17,19H2,1-3H3,(H2,31,32,34,37)