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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C31H38N6O4S MolecularWeight: 590.73622

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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)OCC)OCC)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)OCC)OCC)C

InChI

InChI=1S/C31H38N6O4S/c1-7-36(8-2)22-12-14-23(15-13-22)37-34-25-16-20(6)24(19-26(25)35-37)32-31(42)33-30(38)21-17-27(39-9-3)29(41-11-5)28(18-21)40-10-4/h12-19H,7-11H2,1-6H3,(H2,32,33,38,42)