3-phenylpropyl 5-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H37N3O4S MolecularWeight: 523.68678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H37N3O4S/c1-32(23-15-6-3-7-16-23)28(35)24-17-8-9-18-25(24)30-29(37)31-26(33)19-10-20-27(34)36-21-11-14-22-12-4-2-5-13-22/h2,4-5,8-9,12-13,17-18,23H,3,6-7,10-11,14-16,19-21H2,1H3,(H2,30,31,33,37)