1,3-benzodioxol-5-ylmethyl N-(4,5-dimethyl-2-nitro-phenyl)carbamodithioate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl N-(4,5-dimethyl-2-nitro-phenyl)carbamodithioate Openeye Name: 1,3-benzodioxol-5-ylmethyl N-(4,5-dimethyl-2-nitro-phenyl)carbamodithioate CAS Name: N-(4,5-dimethyl-2-nitrophenyl)carbamodithioic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl N-(4,5-dimethyl-2-nitrophenyl)carbamodithioate Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)carbamodithioic acid piperonyl ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)SCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)SCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N2O4S2/c1-10-5-13(14(19(20)21)6-11(10)2)18-17(24)25-8-12-3-4-15-16(7-12)23-9-22-15/h3-7H,8-9H2,1-2H3,(H,18,24)