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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C29H34N6O2S MolecularWeight: 530.68426

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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(=CC=C4)OCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H34N6O2S/c1-6-34(7-2)22-11-13-23(14-12-22)35-32-26-15-20(5)25(17-27(26)33-35)30-29(38)31-28(36)21-9-8-10-24(16-21)37-18-19(3)4/h8-17,19H,6-7,18H2,1-5H3,(H2,30,31,36,38)