3,4,5-trimethoxy-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide Openeye Name: N-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H24N4O6S/c1-29-15-11-13(12-16(30-2)19(15)31-3)20(28)23-21(32)25-24-18(27)10-9-17(26)22-14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,22,26)(H,24,27)(H2,23,25,28,32)