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

Systemtic Name: N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide Openeye Name: N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide CAS Name: N-[4-[4-(3-hydroxyphenyl)-1-piperazinyl]butyl]-2H-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-(3-hydroxyphenyl)piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide Traditional Name: N-[4-[4-(3-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=C4)O

Isomeric SMILES

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

InChI

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