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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C24H20BrN3O2S2 MolecularWeight: 526.4685

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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)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C24H20BrN3O2S2/c1-2-30-20-12-11-17(13-18(20)25)22(29)28-24(31)26-14-15-7-9-16(10-8-15)23-27-19-5-3-4-6-21(19)32-23/h3-13H,2,14H2,1H3,(H2,26,28,29,31)