N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-phenyl-benzamide Formula: C21H14N4O3S2 MolecularWeight: 434.49086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O3S2/c26-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)23-20(29)24-21-22-17-11-10-16(25(27)28)12-18(17)30-21/h1-12H,(H2,22,23,24,26,29)