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

Systemtic Name: 3-chloranyl-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-chloro-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-chloro-N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-chloro-N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-chloro-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C26H27ClN6O2S MolecularWeight: 523.04958

Click to see the large picture

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)OC)Cl)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)OC)Cl)C

InChI

InChI=1S/C26H27ClN6O2S/c1-5-32(6-2)18-8-10-19(11-9-18)33-30-22-13-16(3)21(15-23(22)31-33)28-26(36)29-25(34)17-7-12-24(35-4)20(27)14-17/h7-15H,5-6H2,1-4H3,(H2,28,29,34,36)