N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-3-methyl-butyramide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC(=O)CN1C=CC2=CC=CC=C21

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC(=O)CN1C=CC2=CC=CC=C21

InChI

InChI=1S/C16H20N4O2S/c1-11(2)9-14(21)17-16(23)19-18-15(22)10-20-8-7-12-5-3-4-6-13(12)20/h3-8,11H,9-10H2,1-2H3,(H,18,22)(H2,17,19,21,23)