2-(3-cyclohexylpropanoylcarbamothioylamino)-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-(3-cyclohexylpropanoylcarbamothioylamino)-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-(3-cyclohexylpropanoylcarbamothioylamino)-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-(3-cyclohexylpropanoylcarbamothioylamino)-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-(3-cyclohexylpropanoylthiocarbamoylamino)-4-methyl-thiophene-3-carboxamide Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC2CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC2CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S2/c1-15-18(14-17-10-6-3-7-11-17)30-22(20(15)21(24)28)26-23(29)25-19(27)13-12-16-8-4-2-5-9-16/h3,6-7,10-11,16H,2,4-5,8-9,12-14H2,1H3,(H2,24,28)(H2,25,26,27,29)