N-[4-[(2-phenoxyethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[(2-phenoxyethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[(2-phenoxyacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[oxo-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: N-[4-[[(2-phenoxyacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[(2-phenoxyacetyl)thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C20H22N4O4S MolecularWeight: 414.47808

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-2-6-17(25)21-15-11-9-14(10-12-15)19(27)23-24-20(29)22-18(26)13-28-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,29)