methyl 3-chloranyl-6-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-piperidin-1-ylcarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(piperidine-1-carbonyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(piperidine-1-carbonyl)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H22ClN3O3S2 MolecularWeight: 488.02208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCCC4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCCCC4)Cl

InChI

InChI=1S/C23H22ClN3O3S2/c1-30-22(29)20-19(24)17-10-9-16(13-18(17)32-20)26-23(31)25-15-7-5-14(6-8-15)21(28)27-11-3-2-4-12-27/h5-10,13H,2-4,11-12H2,1H3,(H2,25,26,31)