2-dimethylaminoethyl N-[(3-nitrophenyl)methyl]carbamodithioate

Systemtic Name: 2-dimethylaminoethyl N-[(3-nitrophenyl)methyl]carbamodithioate Openeye Name: 2-dimethylaminoethyl N-[(3-nitrophenyl)methyl]carbamodithioate CAS Name: N-[(3-nitrophenyl)methyl]carbamodithioic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl N-[(3-nitrophenyl)methyl]carbamodithioate Traditional Name: N-(3-nitrobenzyl)carbamodithioic acid 2-dimethylaminoethyl ester Formula: C12H17N3O2S2 MolecularWeight: 299.41228

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC(=S)NCC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCSC(=S)NCC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O2S2/c1-14(2)6-7-19-12(18)13-9-10-4-3-5-11(8-10)15(16)17/h3-5,8H,6-7,9H2,1-2H3,(H,13,18)