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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C18H15BrN4O3S2 MolecularWeight: 479.3707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)10-3-6-14(26-2)12(19)7-10/h3-8H,1-2H3,(H,20,24)(H2,21,22,23,25,27)