3-phenylpropyl 5-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C28H31N3O4S2 MolecularWeight: 537.69344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O4S2/c1-19-22(18-21-12-6-3-7-13-21)37-27(25(19)26(29)34)31-28(36)30-23(32)15-8-16-24(33)35-17-9-14-20-10-4-2-5-11-20/h2-7,10-13H,8-9,14-18H2,1H3,(H2,29,34)(H2,30,31,32,36)