3-phenylpropyl 5-[[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-5-oxopentanoate Traditional Name: 5-[[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C30H33N3O4S MolecularWeight: 531.66572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O4S/c1-33(26-18-9-8-17-25(26)29(36)31-22-24-14-6-3-7-15-24)30(38)32-27(34)19-10-20-28(35)37-21-11-16-23-12-4-2-5-13-23/h2-9,12-15,17-18H,10-11,16,19-22H2,1H3,(H,31,36)(H,32,34,38)