dimethyl 5-[2-(5-methyl-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(5-methyl-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(5-methyl-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(5-methyl-1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(5-methyl-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(5-methyl-1H-indol-3-yl)ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-13-4-5-19-18(8-13)14(12-24-19)6-7-23-22(30)25-17-10-15(20(26)28-2)9-16(11-17)21(27)29-3/h4-5,8-12,24H,6-7H2,1-3H3,(H2,23,25,30)