ethyl 2-[(3-bromophenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromophenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-bromophenyl)thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H23BrN2O2S2 MolecularWeight: 467.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2S2/c1-2-25-19(24)17-15-10-5-3-4-6-11-16(15)27-18(17)23-20(26)22-14-9-7-8-13(21)12-14/h7-9,12H,2-6,10-11H2,1H3,(H2,22,23,26)