N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,5-bis(bromanyl)-2-methoxy-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,5-dibromo-2-methoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3,5-dibromo-2-methoxy-benzamide Formula: C23H17Br2N3O2S2 MolecularWeight: 591.33798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)Br)Br

InChI

InChI=1S/C23H17Br2N3O2S2/c1-30-20-16(10-15(24)11-17(20)25)21(29)28-23(31)26-12-13-6-8-14(9-7-13)22-27-18-4-2-3-5-19(18)32-22/h2-11H,12H2,1H3,(H2,26,28,29,31)