methyl 4-oxidanylidene-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(3-phenylpropoxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-26-20(25)14-13-19(24)23-21(28)22-17-9-11-18(12-10-17)27-15-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H2,22,23,24,28)