1,3-benzodioxol-5-ylmethyl N-(3-chloranyl-4-methylsulfanyl-phenyl)carbamodithioate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl N-(3-chloranyl-4-methylsulfanyl-phenyl)carbamodithioate Openeye Name: 1,3-benzodioxol-5-ylmethyl N-(3-chloro-4-methylsulfanyl-phenyl)carbamodithioate CAS Name: N-[3-chloro-4-(methylthio)phenyl]carbamodithioic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl N-(3-chloro-4-methylsulfanylphenyl)carbamodithioate Traditional Name: N-[3-chloro-4-(methylthio)phenyl]carbamodithioic acid piperonyl ester Formula: C16H14ClNO2S3 MolecularWeight: 383.93586

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)NC(=S)SCC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CSC1=C(C=C(C=C1)NC(=S)SCC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C16H14ClNO2S3/c1-22-15-5-3-11(7-12(15)17)18-16(21)23-8-10-2-4-13-14(6-10)20-9-19-13/h2-7H,8-9H2,1H3,(H,18,21)