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

Systemtic Name: 4-heptoxy-N-[(2-indol-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]benzamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

InChI

InChI=1S/C25H30N4O3S/c1-2-3-4-5-8-17-32-21-13-11-20(12-14-21)24(31)26-25(33)28-27-23(30)18-29-16-15-19-9-6-7-10-22(19)29/h6-7,9-16H,2-5,8,17-18H2,1H3,(H,27,30)(H2,26,28,31,33)