N-[2-oxidanyl-3-[(phenylmethyl)-propan-2-yl-amino]propyl]-3,4-dihydro-2H-thiochromene-8-carboxamide

Systemtic Name: N-[2-oxidanyl-3-[(phenylmethyl)-propan-2-yl-amino]propyl]-3,4-dihydro-2H-thiochromene-8-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]-2-hydroxy-propyl]thiochromane-8-carboxamide CAS Name: N-[2-hydroxy-3-[(phenylmethyl)-propan-2-ylamino]propyl]-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]-2-hydroxypropyl]-3,4-dihydro-2H-thiochromene-8-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]-2-hydroxy-propyl]thiochroman-8-carboxamide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)CC(CNC(=O)C2=C3C(=CC=C2)CCCS3)O

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)CC(CNC(=O)C2=C3C(=CC=C2)CCCS3)O

InChI

InChI=1S/C23H30N2O2S/c1-17(2)25(15-18-8-4-3-5-9-18)16-20(26)14-24-23(27)21-12-6-10-19-11-7-13-28-22(19)21/h3-6,8-10,12,17,20,26H,7,11,13-16H2,1-2H3,(H,24,27)