3-(8-chloranyl-6-methyl-benzo[c][1,5]benzoxathiepin-6-yl)-N,N-dimethyl-propan-1-amine; ethane

Systemtic Name: 3-(8-chloranyl-6-methyl-benzo[c][1,5]benzoxathiepin-6-yl)-N,N-dimethyl-propan-1-amine; ethane Openeye Name: 3-(8-chloro-6-methyl-benzo[c][1,5]benzoxathiepin-6-yl)-N,N-dimethyl-propan-1-amine; ethane CAS Name: 3-(8-chloro-6-methyl-6-benzo[c][1,5]benzoxathiepinyl)-N,N-dimethyl-1-propanamine; ethane IUPAC Name: 3-(8-chloro-6-methylbenzo[c][1,5]benzoxathiepin-6-yl)-N,N-dimethylpropan-1-amine; ethane Traditional Name: 3-(8-chloro-6-methyl-benzo[c][1,5]benzoxathiepin-6-yl)propyl-dimethyl-amine; ethane Formula: C21H28ClNOS MolecularWeight: 377.97112

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Descriptors Computed from Structure

Canonical SMILES:

CC.CC1(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C3O1)CCCN(C)C

Isomeric SMILES

CC.CC1(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C3O1)CCCN(C)C

InChI

InChI=1S/C19H22ClNOS.C2H6/c1-19(11-6-12-21(2)3)15-13-14(20)9-10-17(15)23-18-8-5-4-7-16(18)22-19;1-2/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H3