3-phenylpropyl 5-[(4-methylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-methylphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-(p-tolylcarbamothioylamino)pentanoate CAS Name: 5-[[(4-methylanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-methylphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-(p-tolylthiocarbamoylamino)valeric acid 3-phenylpropyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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