(3R)-N-[(2S)-3-(2-azanyl-3-methyl-phenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine

Systemtic Name: (3R)-N-[(2S)-3-(2-azanyl-3-methyl-phenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-3-(2-amino-3-methyl-phenyl)sulfanyl-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-3-[(2-amino-3-methylphenyl)thio]-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-3-(2-amino-3-methylphenyl)sulfanyl-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(2S)-3-[(2-amino-3-methyl-phenyl)thio]-2-methyl-propyl]-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]amine Formula: C20H26N2OS2 MolecularWeight: 374.56324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCC(C)CNC2COC3=CC=CC=C3SC2)N

Isomeric SMILES

CC1=C(C(=CC=C1)SC[C@@H](C)CN[C@@H]2COC3=CC=CC=C3SC2)N

InChI

InChI=1S/C20H26N2OS2/c1-14(12-24-19-9-5-6-15(2)20(19)21)10-22-16-11-23-17-7-3-4-8-18(17)25-13-16/h3-9,14,16,22H,10-13,21H2,1-2H3/t14-,16+/m0/s1