methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23N3O2S3 MolecularWeight: 445.62122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NC4=C(S3)C=C(C(=C4)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=NC4=C(S3)C=C(C(=C4)C)C

InChI

InChI=1S/C21H23N3O2S3/c1-10-5-6-13-15(7-10)28-18(17(13)19(25)26-4)23-20(27)24-21-22-14-8-11(2)12(3)9-16(14)29-21/h8-10H,5-7H2,1-4H3,(H2,22,23,24,27)