3-phenylpropyl 5-[(3-methylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-methylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(m-tolylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(3-methylanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(3-methylphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-(m-tolylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c1-17-8-5-12-19(16-17)23-22(28)24-20(25)13-6-14-21(26)27-15-7-11-18-9-3-2-4-10-18/h2-5,8-10,12,16H,6-7,11,13-15H2,1H3,(H2,23,24,25,28)