2-heptyl-5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-heptyl-5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-heptyl-5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-heptyl-5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-heptyl-5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-heptyl-5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine Formula: C16H24N2OS MolecularWeight: 292.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCN(C2=CC=CC=C2S1)N=O

Isomeric SMILES

CCCCCCCC1CCN(C2=CC=CC=C2S1)N=O

InChI

InChI=1S/C16H24N2OS/c1-2-3-4-5-6-9-14-12-13-18(17-19)15-10-7-8-11-16(15)20-14/h7-8,10-11,14H,2-6,9,12-13H2,1H3