3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-[2-oxidanylidene-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]carbothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-keto-4-[[3-keto-2-[2-keto-2-(3-phenylpropoxy)ethyl]piperazine-1-carbothioyl]amino]butyric acid 3-phenylpropyl ester Formula: C29H35N3O6S MolecularWeight: 553.6697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H35N3O6S/c33-25(15-16-26(34)37-19-7-13-22-9-3-1-4-10-22)31-29(39)32-18-17-30-28(36)24(32)21-27(35)38-20-8-14-23-11-5-2-6-12-23/h1-6,9-12,24H,7-8,13-21H2,(H,30,36)(H,31,33,39)