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

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

Systemtic Name:methyl 2-[(4-phenylmethoxyphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Openeye Name:methyl 2-[(4-benzyloxyphenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name:2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC Name:methyl 2-[(4-phenylmethoxyphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Traditional Name:2-[(4-benzoxyphenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
Formula: C24H24N2O3S2
MolecularWeight: 452.58896
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4


Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4


InChI

InChI=1S/C24H24N2O3S2/c1-28-23(27)21-19-9-5-6-10-20(19)31-22(21)26-24(30)25-17-11-13-18(14-12-17)29-15-16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H2,25,26,30)


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