1,3-benzodioxol-5-ylmethyl N-(4-bromanyl-3-methyl-phenyl)carbamodithioate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl N-(4-bromanyl-3-methyl-phenyl)carbamodithioate Openeye Name: 1,3-benzodioxol-5-ylmethyl N-(4-bromo-3-methyl-phenyl)carbamodithioate CAS Name: N-(4-bromo-3-methylphenyl)carbamodithioic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl N-(4-bromo-3-methylphenyl)carbamodithioate Traditional Name: N-(4-bromo-3-methyl-phenyl)carbamodithioic acid piperonyl ester Formula: C16H14BrNO2S2 MolecularWeight: 396.32186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)SCC2=CC3=C(C=C2)OCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)SCC2=CC3=C(C=C2)OCO3)Br

InChI

InChI=1S/C16H14BrNO2S2/c1-10-6-12(3-4-13(10)17)18-16(21)22-8-11-2-5-14-15(7-11)20-9-19-14/h2-7H,8-9H2,1H3,(H,18,21)