N-[(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]-5-nitro-benzothiophene-2-carboxamide Formula: C19H14N4O4S3 MolecularWeight: 458.53386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N4O4S3/c1-22-16-12(27-2)4-3-5-14(16)30-19(22)21-18(28)20-17(24)15-9-10-8-11(23(25)26)6-7-13(10)29-15/h3-9H,1-2H3,(H,20,24,28)