3-phenylpropyl 5-[(2-cyanophenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2-cyanophenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(2-cyanophenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(2-cyanoanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(2-cyanophenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(2-cyanophenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC=C2C#N

InChI

InChI=1S/C22H23N3O3S/c23-16-18-11-4-5-12-19(18)24-22(29)25-20(26)13-6-14-21(27)28-15-7-10-17-8-2-1-3-9-17/h1-5,8-9,11-12H,6-7,10,13-15H2,(H2,24,25,26,29)