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

Systemtic Name: methyl 2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-methylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H19ClN2O2S2 MolecularWeight: 394.93866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl

InChI

InChI=1S/C18H19ClN2O2S2/c1-10-7-8-11(9-13(10)19)20-18(24)21-16-15(17(22)23-2)12-5-3-4-6-14(12)25-16/h7-9H,3-6H2,1-2H3,(H2,20,21,24)