3-methyl-N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: N-[4-[(isobutyrylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C(C)C

InChI

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