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

Systemtic Name: methyl 3-chloranyl-6-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-isopropyl-4-piperidyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-propan-2-yl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-isopropyl-4-piperidyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H24ClN3O2S2 MolecularWeight: 425.99576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC(C)N1CCC(CC1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H24ClN3O2S2/c1-11(2)23-8-6-12(7-9-23)21-19(26)22-13-4-5-14-15(10-13)27-17(16(14)20)18(24)25-3/h4-5,10-12H,6-9H2,1-3H3,(H2,21,22,26)