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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C23H18BrN3O2S2 MolecularWeight: 512.44192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C23H18BrN3O2S2/c1-29-19-11-10-16(12-17(19)24)21(28)27-23(30)25-13-14-6-8-15(9-7-14)22-26-18-4-2-3-5-20(18)31-22/h2-12H,13H2,1H3,(H2,25,27,28,30)