ethyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H18ClN3O2S3 MolecularWeight: 488.04522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C22H18ClN3O2S3/c1-3-28-20(27)17-16(13-8-5-4-6-9-13)12(2)30-19(17)25-21(29)26-22-24-18-14(23)10-7-11-15(18)31-22/h4-11H,3H2,1-2H3,(H2,24,25,26,29)