N-[2-methoxy-4-(2-phenoxyethanoylcarbamothioylamino)phenyl]pentanamide

Systemtic Name: N-[2-methoxy-4-(2-phenoxyethanoylcarbamothioylamino)phenyl]pentanamide Openeye Name: N-[2-methoxy-4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]pentanamide CAS Name: N-[2-methoxy-4-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[2-methoxy-4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]pentanamide Traditional Name: N-[2-methoxy-4-[(2-phenoxyacetyl)thiocarbamoylamino]phenyl]valeramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25N3O4S/c1-3-4-10-19(25)23-17-12-11-15(13-18(17)27-2)22-21(29)24-20(26)14-28-16-8-6-5-7-9-16/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,25)(H2,22,24,26,29)