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

Systemtic Name: N-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide Openeye Name: N-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide CAS Name: N-[4-[4-(3,4-dimethoxyphenyl)-1-piperazinyl]butyl]-2H-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide Traditional Name: N-[4-[4-(3,4-dimethoxyphenyl)piperazino]butyl]-2H-thiochromene-3-carboxamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4SC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2CCN(CC2)CCCCNC(=O)C3=CC4=CC=CC=C4SC3)OC

InChI

InChI=1S/C26H33N3O3S/c1-31-23-10-9-22(18-24(23)32-2)29-15-13-28(14-16-29)12-6-5-11-27-26(30)21-17-20-7-3-4-8-25(20)33-19-21/h3-4,7-10,17-18H,5-6,11-16,19H2,1-2H3,(H,27,30)