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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(3-phenylpropoxy)phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O4S/c32-27(18-19-28(33)35-21-9-15-24-12-5-2-6-13-24)31-29(36)30-25-16-7-17-26(22-25)34-20-8-14-23-10-3-1-4-11-23/h1-7,10-13,16-17,22H,8-9,14-15,18-21H2,(H2,30,31,32,36)