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

Systemtic Name: 3-phenylpropyl 5-[(4-heptoxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-heptoxyphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[(4-heptoxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-heptoxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(4-heptoxyphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C28H38N2O4S/c1-2-3-4-5-9-21-33-25-19-17-24(18-20-25)29-28(35)30-26(31)15-10-16-27(32)34-22-11-14-23-12-7-6-8-13-23/h6-8,12-13,17-20H,2-5,9-11,14-16,21-22H2,1H3,(H2,29,30,31,35)