N-[(2-indol-1-ylethanoylamino)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[(2-indol-1-ylethanoylamino)carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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