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

Systemtic Name: 3-phenylpropyl 5-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-oxo-5-[[4-(sec-butylcarbamoyl)phenyl]carbamothioylamino]pentanoate CAS Name: 5-[[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[4-(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=C(C=C1)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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