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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C28H32N6O4S MolecularWeight: 548.65648

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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)OC)OC)OC)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)OC)OC)C

InChI

InChI=1S/C28H32N6O4S/c1-7-33(8-2)19-9-11-20(12-10-19)34-31-22-13-17(3)21(16-23(22)32-34)29-28(39)30-27(35)18-14-24(36-4)26(38-6)25(15-18)37-5/h9-16H,7-8H2,1-6H3,(H2,29,30,35,39)