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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C23H18ClN3OS2 MolecularWeight: 451.99152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H18ClN3OS2/c1-14-6-9-17(12-18(14)24)21(28)27-23(29)25-13-15-7-10-16(11-8-15)22-26-19-4-2-3-5-20(19)30-22/h2-12H,13H2,1H3,(H2,25,27,28,29)