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

Systemtic Name: N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]-5-nitro-benzothiophene-2-carboxamide Formula: C19H14N4O3S3 MolecularWeight: 442.53446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)C

InChI

InChI=1S/C19H14N4O3S3/c1-10-3-5-13-15(7-10)29-19(22(13)2)21-18(27)20-17(24)16-9-11-8-12(23(25)26)4-6-14(11)28-16/h3-9H,1-2H3,(H,20,24,27)