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

Systemtic Name: methyl 2-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-keto-5-(3-phenylpropoxy)pentanoyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S2/c1-31-24(30)22-18-12-5-6-13-19(18)34-23(22)27-25(33)26-20(28)14-7-15-21(29)32-16-8-11-17-9-3-2-4-10-17/h2-4,9-10H,5-8,11-16H2,1H3,(H2,26,27,28,33)