3-phenylpropyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O4S/c32-25(16-17-27(34)35-18-8-13-21-9-3-1-4-10-21)31-28(36)30-24-15-7-14-23(20-24)29-26(33)19-22-11-5-2-6-12-22/h1-7,9-12,14-15,20H,8,13,16-19H2,(H,29,33)(H2,30,31,32,36)