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

Systemtic Name: N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Openeye Name: N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide CAS Name: N-[4-[4-(3-hydroxyphenyl)-1-piperazinyl]butyl]-2,2-dimethyl-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-2,2-dimethylthiochromene-3-carboxamide Traditional Name: N-[4-[4-(3-hydroxyphenyl)piperazino]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2S/c1-26(2)23(18-20-8-3-4-11-24(20)32-26)25(31)27-12-5-6-13-28-14-16-29(17-15-28)21-9-7-10-22(30)19-21/h3-4,7-11,18-19,30H,5-6,12-17H2,1-2H3,(H,27,31)