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

Systemtic Name: N-[[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-[4-(diethylamino)-2-methylphenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]propionamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=C(C=C(C=C3)N(CC)CC)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=C(C=C(C=C3)N(CC)CC)C

InChI

InChI=1S/C22H28N6OS/c1-6-21(29)24-22(30)23-17-13-19-18(12-14(17)4)25-28(26-19)20-10-9-16(11-15(20)5)27(7-2)8-3/h9-13H,6-8H2,1-5H3,(H2,23,24,29,30)