N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C23H15N3O3S2 MolecularWeight: 445.5135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O3S2/c1-13-2-8-18-20(10-13)31-23(25-18)14-3-5-16(6-4-14)24-22(27)21-12-15-11-17(26(28)29)7-9-19(15)30-21/h2-12H,1H3,(H,24,27)