N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]-3-methyl-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C21H24N4O4S/c1-3-29-17-9-7-16(8-10-17)22-18(26)11-12-19(27)24-25-21(30)23-20(28)15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,30)