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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-benzyloxy-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-phenylmethoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-4-benzoxy-benzamide Formula: C29H23N3O2S2 MolecularWeight: 509.64182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H23N3O2S2/c33-27(22-14-16-24(17-15-22)34-19-21-6-2-1-3-7-21)32-29(35)30-18-20-10-12-23(13-11-20)28-31-25-8-4-5-9-26(25)36-28/h1-17H,18-19H2,(H2,30,32,33,35)