N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[4-[oxo-[[(1-oxobutylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: N-[4-[(butanoylcarbamothioylamino)carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[(butyrylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H22N4O3S/c1-3-5-17(25)22-20(28)24-23-19(27)14-8-10-16(11-9-14)21-18(26)15-7-4-6-13(2)12-15/h4,6-12H,3,5H2,1-2H3,(H,21,26)(H,23,27)(H2,22,24,25,28)