methyl 3-chloranyl-6-[[(1-methylindol-3-yl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(1-methylindol-3-yl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(1-methylindole-3-carbonyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(1-methyl-3-indolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(1-methylindole-3-carbonyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(1-methylindole-3-carbonyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H17ClN4O3S2 MolecularWeight: 472.96768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)NNC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

InChI=1S/C21H17ClN4O3S2/c1-26-10-14(12-5-3-4-6-15(12)26)19(27)24-25-21(30)23-11-7-8-13-16(9-11)31-18(17(13)22)20(28)29-2/h3-10H,1-2H3,(H,24,27)(H2,23,25,30)