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

Systemtic Name: methyl 2-[(2-bromanyl-4-methyl-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromo-4-methyl-phenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-bromo-4-methylanilino)-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-4-methylphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-bromo-4-methyl-phenyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21BrN2O2S2 MolecularWeight: 453.41624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(C=C(C=C3)C)Br

InChI

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