methyl 4-[(2-indol-1-ylethanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-indol-1-ylethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[(2-indol-1-ylacetyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-indol-1-ylacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[(2-indol-1-ylacetyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

InChI

InChI=1S/C20H18N4O4S/c1-28-19(27)15-8-6-14(7-9-15)18(26)21-20(29)23-22-17(25)12-24-11-10-13-4-2-3-5-16(13)24/h2-11H,12H2,1H3,(H,22,25)(H2,21,23,26,29)