3-bromanyl-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C27H29BrN6O2S MolecularWeight: 581.52716

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC)Br)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC)Br)C

InChI

InChI=1S/C27H29BrN6O2S/c1-5-33(6-2)19-9-11-20(12-10-19)34-31-23-14-17(4)22(16-24(23)32-34)29-27(37)30-26(35)18-8-13-25(36-7-3)21(28)15-18/h8-16H,5-7H2,1-4H3,(H2,29,30,35,37)