methyl 2-[[4-oxidanylidene-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-oxidanylidene-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-oxo-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1,4-dioxo-4-(3-phenylpropoxy)butyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-oxo-4-(3-phenylpropoxy)butanoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-keto-4-(3-phenylpropoxy)butanoyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S2/c1-30-23(29)21-17-11-5-6-12-18(17)33-22(21)26-24(32)25-19(27)13-14-20(28)31-15-7-10-16-8-3-2-4-9-16/h2-4,8-9H,5-7,10-15H2,1H3,(H2,25,26,27,32)