N-[4-[[2-(2-methylphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(2-methylphenyl)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(o-tolyl)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(2-methylphenyl)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(o-tolyl)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C21H24N4O3S/c1-3-6-18(26)22-17-11-9-15(10-12-17)20(28)24-25-21(29)23-19(27)13-16-8-5-4-7-14(16)2/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,29)