ethyl 2-[(3-bromophenyl)methylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)methylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromophenyl)methylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(3-bromophenyl)methylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)methylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-bromobenzyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H21BrN2O2S2 MolecularWeight: 453.41624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H21BrN2O2S2/c1-2-24-18(23)16-14-8-3-4-9-15(14)26-17(16)22-19(25)21-11-12-6-5-7-13(20)10-12/h5-7,10H,2-4,8-9,11H2,1H3,(H2,21,22,25)