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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3S2/c1-29-19-12-11-17(13-20(19)30-2)22(28)27-24(31)25-14-15-7-9-16(10-8-15)23-26-18-5-3-4-6-21(18)32-23/h3-13H,14H2,1-2H3,(H2,25,27,28,31)