methyl 2-[(2-bromanyl-4-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-bromanyl-4-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-bromo-4-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-bromo-4-methylanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromo-4-methylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-bromo-4-methyl-phenyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H21BrN2O2S2 MolecularWeight: 453.41624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)Br

InChI

InChI=1S/C19H21BrN2O2S2/c1-11-8-9-14(13(20)10-11)21-19(25)22-17-16(18(23)24-2)12-6-4-3-5-7-15(12)26-17/h8-10H,3-7H2,1-2H3,(H2,21,22,25)