phenethyl 4-oxidanylidene-4-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O5S/c31-24(14-15-26(33)34-17-16-20-8-3-1-4-9-20)30-27(36)29-22-11-7-10-21(18-22)28-25(32)19-35-23-12-5-2-6-13-23/h1-13,18H,14-17,19H2,(H,28,32)(H2,29,30,31,36)