N-[1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-piperidin-4-yl]-N-phenyl-thiophene-2-carboxamide

Systemtic Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-piperidin-4-yl]-N-phenyl-thiophene-2-carboxamide Openeye Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidyl]-N-phenyl-thiophene-2-carboxamide CAS Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidinyl]-N-phenyl-2-thiophenecarboxamide IUPAC Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]-3-methylpiperidin-4-yl]-N-phenylthiophene-2-carboxamide Traditional Name: N-[1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidyl]-N-phenyl-thiophene-2-carboxamide Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC=CS3)CCC4=CC=C(C=C4)N=C=S

Isomeric SMILES

CC1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC=CS3)CCC4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C26H27N3OS2/c1-20-18-28(15-13-21-9-11-22(12-10-21)27-19-31)16-14-24(20)29(23-6-3-2-4-7-23)26(30)25-8-5-17-32-25/h2-12,17,20,24H,13-16,18H2,1H3