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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C18H15BrN4O3S2 MolecularWeight: 479.3707

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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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O3S2/c1-9(24)20-11-4-5-13-15(8-11)28-18(21-13)23-17(27)22-16(25)12-7-10(19)3-6-14(12)26-2/h3-8H,1-2H3,(H,20,24)(H2,21,22,23,25,27)