N-(3-chlorophenyl)-2-(phenylmethyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-2-(phenylmethyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: 2-benzyl-N-(3-chlorophenyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(3-chlorophenyl)-2-(phenylmethyl)-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: 2-benzyl-N-(3-chlorophenyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: 2-benzyl-N-(3-chlorophenyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C21H17ClN2S2 MolecularWeight: 396.95608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2N(C3=CC=CC=C3S2)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2N(C3=CC=CC=C3S2)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN2S2/c22-16-9-6-10-17(14-16)23-21(25)24-18-11-4-5-12-19(18)26-20(24)13-15-7-2-1-3-8-15/h1-12,14,20H,13H2,(H,23,25)