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

Systemtic Name: ethyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]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(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C22H18ClN3O2S3/c1-2-28-20(27)15-12-14(11-13-7-4-3-5-8-13)30-19(15)25-21(29)26-22-24-18-16(23)9-6-10-17(18)31-22/h3-10,12H,2,11H2,1H3,(H2,24,25,26,29)