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

Systemtic Name: 3-phenylpropyl 5-[(3-benzamidophenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(3-benzamidophenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(3-benzamidoanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(3-benzamidophenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(3-benzamidophenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H29N3O4S/c32-25(17-8-18-26(33)35-19-9-12-21-10-3-1-4-11-21)31-28(36)30-24-16-7-15-23(20-24)29-27(34)22-13-5-2-6-14-22/h1-7,10-11,13-16,20H,8-9,12,17-19H2,(H,29,34)(H2,30,31,32,36)