N-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide

Systemtic Name: N-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Openeye Name: N-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide CAS Name: N-[4-[4-(2-cyanophenyl)-1-piperazinyl]butyl]-2,2-dimethyl-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-2,2-dimethylthiochromene-3-carboxamide Traditional Name: N-[4-[4-(2-cyanophenyl)piperazino]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=CC=CC=C2S1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1(C(=CC2=CC=CC=C2S1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C27H32N4OS/c1-27(2)23(19-21-9-4-6-12-25(21)33-27)26(32)29-13-7-8-14-30-15-17-31(18-16-30)24-11-5-3-10-22(24)20-28/h3-6,9-12,19H,7-8,13-18H2,1-2H3,(H,29,32)