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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

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