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

Systemtic Name: ethyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H18ClN3O2S3 MolecularWeight: 452.01312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C19H18ClN3O2S3/c1-2-25-17(24)14-10-6-3-4-8-12(10)27-16(14)22-18(26)23-19-21-15-11(20)7-5-9-13(15)28-19/h5,7,9H,2-4,6,8H2,1H3,(H2,21,22,23,26)