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

Systemtic Name: N-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-sulfanylidenemethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)thiocarbamoyl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H16N4O4S3 MolecularWeight: 472.56044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=S)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])S2)C

Isomeric SMILES

CCOC1=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/C20H16N4O4S3/c1-3-28-13-5-6-14-16(10-13)31-20(23(14)2)22-19(29)21-18(25)17-9-11-8-12(24(26)27)4-7-15(11)30-17/h4-10H,3H2,1-2H3,(H,21,25,29)