2-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-5-prop-2-ynyl-1,2,5-thiadiazepane 1,1-dioxide

Systemtic Name: 2-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-5-prop-2-ynyl-1,2,5-thiadiazepane 1,1-dioxide Openeye Name: 2-[(4-bromophenyl)methyl]-3-isobutyl-5-prop-2-ynyl-1,2,5-thiadiazepane 1,1-dioxide CAS Name: 2-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-5-prop-2-ynyl-1,2,5-thiadiazepane 1,1-dioxide IUPAC Name: 2-[(4-bromophenyl)methyl]-3-(2-methylpropyl)-5-prop-2-ynyl-1,2,5-thiadiazepane 1,1-dioxide Traditional Name: 2-(4-bromobenzyl)-3-isobutyl-5-propargyl-1,2,5-thiadiazepane 1,1-dioxide Formula: C18H25BrN2O2S MolecularWeight: 413.3723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCS(=O)(=O)N1CC2=CC=C(C=C2)Br)CC#C

Isomeric SMILES

CC(C)CC1CN(CCS(=O)(=O)N1CC2=CC=C(C=C2)Br)CC#C

InChI

InChI=1S/C18H25BrN2O2S/c1-4-9-20-10-11-24(22,23)21(18(14-20)12-15(2)3)13-16-5-7-17(19)8-6-16/h1,5-8,15,18H,9-14H2,2-3H3