(3R)-N-[(2S)-3-(1H-indol-7-ylsulfanyl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine

Systemtic Name: (3R)-N-[(2S)-3-(1H-indol-7-ylsulfanyl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Openeye Name: (3R)-N-[(2S)-3-(1H-indol-7-ylsulfanyl)-2-methyl-propyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine CAS Name: (3R)-N-[(2S)-3-(1H-indol-7-ylthio)-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine IUPAC Name: (3R)-N-[(2S)-3-(1H-indol-7-ylsulfanyl)-2-methylpropyl]-3,4-dihydro-2H-1,5-benzoxathiepin-3-amine Traditional Name: [(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-[(2S)-3-(1H-indol-7-ylthio)-2-methyl-propyl]amine Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1COC2=CC=CC=C2SC1)CSC3=CC=CC4=C3NC=C4

Isomeric SMILES

C[C@@H](CN[C@@H]1COC2=CC=CC=C2SC1)CSC3=CC=CC4=C3NC=C4

InChI

InChI=1S/C21H24N2OS2/c1-15(13-25-20-8-4-5-16-9-10-22-21(16)20)11-23-17-12-24-18-6-2-3-7-19(18)26-14-17/h2-10,15,17,22-23H,11-14H2,1H3/t15-,17+/m0/s1