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

Systemtic Name: 4-bromanyl-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C25H25BrN6OS MolecularWeight: 537.4746

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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)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)Br)C

InChI

InChI=1S/C25H25BrN6OS/c1-4-31(5-2)19-10-12-20(13-11-19)32-29-22-14-16(3)21(15-23(22)30-32)27-25(34)28-24(33)17-6-8-18(26)9-7-17/h6-15H,4-5H2,1-3H3,(H2,27,28,33,34)