N-[(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(6-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]-5-nitro-benzothiophene-2-carboxamide Formula: C18H11BrN4O3S3 MolecularWeight: 507.40394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Br)SC1=NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)Br)SC1=NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11BrN4O3S3/c1-22-12-4-2-10(19)8-14(12)29-18(22)21-17(27)20-16(24)15-7-9-6-11(23(25)26)3-5-13(9)28-15/h2-8H,1H3,(H,20,24,27)