3-phenylpropyl 5-[[3-(dipropylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-(dipropylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[3-(dipropylcarbamoyl)phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(dipropylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O4S/c1-3-18-31(19-4-2)27(34)23-14-8-15-24(21-23)29-28(36)30-25(32)16-9-17-26(33)35-20-10-13-22-11-6-5-7-12-22/h5-8,11-12,14-15,21H,3-4,9-10,13,16-20H2,1-2H3,(H2,29,30,32,36)