(6-nitro-1,3-benzothiazol-2-yl) N-(4-methoxy-3-nitro-phenyl)carbonylcarbamodithioate

Systemtic Name: (6-nitro-1,3-benzothiazol-2-yl) N-(4-methoxy-3-nitro-phenyl)carbonylcarbamodithioate Openeye Name: (6-nitro-1,3-benzothiazol-2-yl) N-(4-methoxy-3-nitro-benzoyl)carbamodithioate CAS Name: N-[(4-methoxy-3-nitrophenyl)-oxomethyl]carbamodithioic acid (6-nitro-1,3-benzothiazol-2-yl) ester IUPAC Name: (6-nitro-1,3-benzothiazol-2-yl) N-(4-methoxy-3-nitrobenzoyl)carbamodithioate Traditional Name: N-(4-methoxy-3-nitro-benzoyl)carbamodithioic acid (6-nitro-1,3-benzothiazol-2-yl) ester Formula: C16H10N4O6S3 MolecularWeight: 450.4688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O6S3/c1-26-12-5-2-8(6-11(12)20(24)25)14(21)18-15(27)29-16-17-10-4-3-9(19(22)23)7-13(10)28-16/h2-7H,1H3,(H,18,21,27)