methyl 3-chloranyl-6-[(1-ethylpiperidin-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1-ethylpiperidin-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-ethyl-4-piperidyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-ethyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-ethylpiperidin-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-ethyl-4-piperidyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H22ClN3O2S2 MolecularWeight: 411.96918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCN1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H22ClN3O2S2/c1-3-22-8-6-11(7-9-22)20-18(25)21-12-4-5-13-14(10-12)26-16(15(13)19)17(23)24-2/h4-5,10-11H,3,6-9H2,1-2H3,(H2,20,21,25)