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

Systemtic Name: N-[[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: N-[[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: N-[[[2-[4-(diethylamino)-2-methylphenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: N-[[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C21H26N6OS MolecularWeight: 410.53574

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)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6OS/c1-6-26(7-2)16-8-9-20(14(4)10-16)27-24-18-11-13(3)17(12-19(18)25-27)23-21(29)22-15(5)28/h8-12H,6-7H2,1-5H3,(H2,22,23,28,29)