N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

InChI

InChI=1S/C21H22N4O5S/c1-28-16-10-14(11-17(29-2)19(16)30-3)20(27)22-21(31)24-23-18(26)12-25-9-8-13-6-4-5-7-15(13)25/h4-11H,12H2,1-3H3,(H,23,26)(H2,22,24,27,31)