3,5-bis(bromanyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 3,5-bis(bromanyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C18H15Br2N3O4S2 MolecularWeight: 561.2674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br)OC

InChI

InChI=1S/C18H15Br2N3O4S2/c1-25-9-6-12(26-2)14-13(7-9)29-18(21-14)23-17(28)22-16(24)10-4-8(19)5-11(20)15(10)27-3/h4-7H,1-3H3,(H2,21,22,23,24,28)