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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H21N3O2S2/c1-15-6-5-7-18(21(15)29-2)22(28)27-24(30)25-14-16-10-12-17(13-11-16)23-26-19-8-3-4-9-20(19)31-23/h3-13H,14H2,1-2H3,(H2,25,27,28,30)