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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4S2/c1-9-3-4-11(7-14(9)23(26)27)16(25)21-17(28)22-18-20-13-6-5-12(19-10(2)24)8-15(13)29-18/h3-8H,1-2H3,(H,19,24)(H2,20,21,22,25,28)