N,N-dimethyl-1-(1-oxidanylidene-5-pyridin-3-yl-2,3-dihydro-1$l^{4}-benzothiepin-4-yl)methanamine

Systemtic Name: N,N-dimethyl-1-(1-oxidanylidene-5-pyridin-3-yl-2,3-dihydro-1$l^{4}-benzothiepin-4-yl)methanamine Openeye Name: N,N-dimethyl-1-[1-oxo-5-(3-pyridyl)-2,3-dihydro-1$l^{4}-benzothiepin-4-yl]methanamine CAS Name: N,N-dimethyl-1-[1-oxo-5-(3-pyridinyl)-2,3-dihydro-1$l^{4}-benzothiepin-4-yl]methanamine IUPAC Name: N,N-dimethyl-1-(1-oxo-5-pyridin-3-yl-2,3-dihydro-1$l^{4}-benzothiepin-4-yl)methanamine Traditional Name: [1-keto-5-(3-pyridyl)-2,3-dihydro-1$l^{4}-benzothiepin-4-yl]methyl-dimethyl-amine Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=CC=CC=C2S(=O)CC1)C3=CN=CC=C3

Isomeric SMILES

CN(C)CC1=C(C2=CC=CC=C2S(=O)CC1)C3=CN=CC=C3

InChI

InChI=1S/C18H20N2OS/c1-20(2)13-15-9-11-22(21)17-8-4-3-7-16(17)18(15)14-6-5-10-19-12-14/h3-8,10,12H,9,11,13H2,1-2H3