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

Systemtic Name: 2-methyl-N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 2-methyl-N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 2-methyl-N-[4-[oxo-[[(1-oxopentylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: 2-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=C2C

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C

InChI

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