ethyl 2-[(4-piperidin-1-ylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-piperidin-1-ylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1-piperidyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-piperidin-1-ylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-piperidinophenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C23H29N3O2S2/c1-2-28-22(27)20-18-8-4-5-9-19(18)30-21(20)25-23(29)24-16-10-12-17(13-11-16)26-14-6-3-7-15-26/h10-13H,2-9,14-15H2,1H3,(H2,24,25,29)