3-phenylpropyl 5-[(4-butan-2-yloxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-butan-2-yloxyphenyl)carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[(4-sec-butoxyphenyl)carbamothioylamino]pentanoate CAS Name: 5-[[(4-butan-2-yloxyanilino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-butan-2-yloxyphenyl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[(4-sec-butoxyphenyl)thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H32N2O4S/c1-3-19(2)31-22-16-14-21(15-17-22)26-25(32)27-23(28)12-7-13-24(29)30-18-8-11-20-9-5-4-6-10-20/h4-6,9-10,14-17,19H,3,7-8,11-13,18H2,1-2H3,(H2,26,27,28,32)