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

Systemtic Name: 3-phenylpropyl 5-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[3-(sec-butylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-[[[3-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[3-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-(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=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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