N-[4-[[2-(3-methylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(3-methylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(3-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(3-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=CC(=C2)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=CC(=C2)C

InChI

InChI=1S/C21H24N4O4S/c1-3-5-18(26)22-16-10-8-15(9-11-16)20(28)24-25-21(30)23-19(27)13-29-17-7-4-6-14(2)12-17/h4,6-12H,3,5,13H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,30)