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

Systemtic Name: 3-methyl-N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[oxo-[[(1-oxopentylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: 3-methyl-N-[4-[(valerylthiocarbamoylamino)carbamoyl]phenyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-3-4-8-18(26)23-21(29)25-24-20(28)15-9-11-17(12-10-15)22-19(27)16-7-5-6-14(2)13-16/h5-7,9-13H,3-4,8H2,1-2H3,(H,22,27)(H,24,28)(H2,23,25,26,29)