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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C24H20N4O4S2 MolecularWeight: 492.57

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4S2/c1-2-32-20-12-11-17(13-19(20)28(30)31)22(29)27-24(33)25-14-15-7-9-16(10-8-15)23-26-18-5-3-4-6-21(18)34-23/h3-13H,2,14H2,1H3,(H2,25,27,29,33)