N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H10N4O3S3 MolecularWeight: 414.4813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O3S3/c22-15(14-8-9-7-10(21(23)24)5-6-12(9)26-14)19-16(25)20-17-18-11-3-1-2-4-13(11)27-17/h1-8H,(H2,18,19,20,22,25)