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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dibromo-2-methoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,5-dibromo-2-methoxy-benzamide Formula: C18H14Br2N4O3S2 MolecularWeight: 558.26676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

InChI

InChI=1S/C18H14Br2N4O3S2/c1-8(25)21-10-3-4-13-14(7-10)29-18(22-13)24-17(28)23-16(26)11-5-9(19)6-12(20)15(11)27-2/h3-7H,1-2H3,(H,21,25)(H2,22,23,24,26,28)