3-chloranyl-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[1-(phenylmethyl)piperidin-4-yl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1-benzyl-4-piperidyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1-benzylpiperidin-4-yl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(1-benzyl-4-piperidyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C22H22ClN3OS2 MolecularWeight: 444.01258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3OS2/c23-19-17-8-4-5-9-18(17)29-20(19)21(27)25-22(28)24-16-10-12-26(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H2,24,25,27,28)