N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-3-propoxy-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

InChI

InChI=1S/C21H22N4O3S/c1-2-12-28-17-8-5-7-16(13-17)20(27)22-21(29)24-23-19(26)14-25-11-10-15-6-3-4-9-18(15)25/h3-11,13H,2,12,14H2,1H3,(H,23,26)(H2,22,24,27,29)