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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NC4=C(S3)C=C(C(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NC4=C(S3)C=C(C(=C4)C)C

InChI

InChI=1S/C21H23N3O2S3/c1-4-26-19(25)17-13-7-5-6-8-15(13)28-18(17)23-20(27)24-21-22-14-9-11(2)12(3)10-16(14)29-21/h9-10H,4-8H2,1-3H3,(H2,22,23,24,27)