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

Systemtic Name: N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Openeye Name: N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide CAS Name: N-[4-[4-(3-cyanophenyl)-1-piperazinyl]butyl]-2,2-dimethyl-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-2,2-dimethylthiochromene-3-carboxamide Traditional Name: N-[4-[4-(3-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(=C4)C#N)C

Isomeric SMILES

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

InChI

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