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

Systemtic Name: N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide Openeye Name: N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide CAS Name: N-[4-[4-(2-hydroxyphenyl)-1-piperazinyl]butyl]-2H-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(2-hydroxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide Traditional Name: N-[4-[4-(2-hydroxyphenyl)piperazino]butyl]-2H-thiochromene-3-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3SC2)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3SC2)C4=CC=CC=C4O

InChI

InChI=1S/C24H29N3O2S/c28-22-9-3-2-8-21(22)27-15-13-26(14-16-27)12-6-5-11-25-24(29)20-17-19-7-1-4-10-23(19)30-18-20/h1-4,7-10,17,28H,5-6,11-16,18H2,(H,25,29)