N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3,5-bis(bromanyl)-2-methoxy-benzamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3,5-dibromo-2-methoxybenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3,5-dibromo-2-methoxy-benzamide Formula: C23H17Br2N3O2S2 MolecularWeight: 591.33798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H17Br2N3O2S2/c1-12-14(22-26-18-7-3-4-9-19(18)32-22)6-5-8-17(12)27-23(31)28-21(29)15-10-13(24)11-16(25)20(15)30-2/h3-11H,1-2H3,(H2,27,28,29,31)