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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-isopropoxy-benzamide Formula: C28H32N6O2S MolecularWeight: 516.65768

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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(C)C)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(C)C)C

InChI

InChI=1S/C28H32N6O2S/c1-6-33(7-2)21-10-12-22(13-11-21)34-31-25-16-19(5)24(17-26(25)32-34)29-28(37)30-27(35)20-8-14-23(15-9-20)36-18(3)4/h8-18H,6-7H2,1-5H3,(H2,29,30,35,37)