N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H21NO3S/c1-16-13-17(15-28-18-7-3-2-4-8-18)11-12-19(16)24-23(25)22-14-26-20-9-5-6-10-21(20)27-22/h2-13,22H,14-15H2,1H3,(H,24,25)