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

Systemtic Name: ethyl 2-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C23H27N3O4S2/c1-2-30-22(28)19-17-5-3-4-6-18(17)32-20(19)25-23(31)24-16-9-7-15(8-10-16)21(27)26-11-13-29-14-12-26/h7-10H,2-6,11-14H2,1H3,(H2,24,25,31)