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

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2-dimethyl-thiochromene-3-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-2,2-dimethyl-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-2,2-dimethylthiochromene-3-carboxamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-2,2-dimethyl-thiochromene-3-carboxamide Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=CC=CC=C2S1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1(C(=CC2=CC=CC=C2S1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C27H35N3O2S/c1-27(2)22(20-21-10-4-7-13-25(21)33-27)26(31)28-14-8-9-15-29-16-18-30(19-17-29)23-11-5-6-12-24(23)32-3/h4-7,10-13,20H,8-9,14-19H2,1-3H3,(H,28,31)