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

Systemtic Name: methyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethyl-6-methylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O2S2/c1-4-14-10-8-9-13(2)18(14)22-21(26)23-19-17(20(24)25-3)15-11-6-5-7-12-16(15)27-19/h8-10H,4-7,11-12H2,1-3H3,(H2,22,23,26)