3-phenylpropyl 5-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[2-(sec-butylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-[[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[2-(sec-butylcarbamoyl)phenyl]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O4S/c1-3-19(2)27-25(32)21-14-7-8-15-22(21)28-26(34)29-23(30)16-9-17-24(31)33-18-10-13-20-11-5-4-6-12-20/h4-8,11-12,14-15,19H,3,9-10,13,16-18H2,1-2H3,(H,27,32)(H2,28,29,30,34)