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

Systemtic Name: methyl 6-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(3-morpholinosulfonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[3-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(3-morpholinosulfonylphenyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27N3O5S3 MolecularWeight: 509.66188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O5S3/c1-14-6-7-17-18(12-14)32-20(19(17)21(26)29-2)24-22(31)23-15-4-3-5-16(13-15)33(27,28)25-8-10-30-11-9-25/h3-5,13-14H,6-12H2,1-2H3,(H2,23,24,31)