N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C18H15ClN4O5S2 MolecularWeight: 466.9185

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O5S2/c1-3-28-13-5-4-9(6-12(13)23(25)26)16(24)21-17(29)22-18-20-11-7-10(19)14(27-2)8-15(11)30-18/h4-8H,3H2,1-2H3,(H2,20,21,22,24,29)