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

Systemtic Name: 2-chloranyl-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-5-iodo-benzamide Formula: C25H24ClIN6OS MolecularWeight: 618.92013

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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=C(C=CC(=C4)I)Cl)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl)C

InChI

InChI=1S/C25H24ClIN6OS/c1-4-32(5-2)17-7-9-18(10-8-17)33-30-22-12-15(3)21(14-23(22)31-33)28-25(35)29-24(34)19-13-16(27)6-11-20(19)26/h6-14H,4-5H2,1-3H3,(H2,28,29,34,35)