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

Systemtic Name: N-[(2-methyl-1,3-benzothiazol-5-yl)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-methyl-1,3-benzothiazol-5-yl)carbamothioyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[(2-methyl-1,3-benzothiazol-5-yl)amino]-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-methyl-1,3-benzothiazol-5-yl)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2-methyl-1,3-benzothiazol-5-yl)thiocarbamoyl]-5-nitro-benzothiophene-2-carboxamide Formula: C18H12N4O3S3 MolecularWeight: 428.50788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O3S3/c1-9-19-13-8-11(2-4-15(13)27-9)20-18(26)21-17(23)16-7-10-6-12(22(24)25)3-5-14(10)28-16/h2-8H,1H3,(H2,20,21,23,26)