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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]valeramide Formula: C23H30N6OS MolecularWeight: 438.5889

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6OS/c1-5-8-9-22(30)25-23(31)24-19-15-21-20(14-16(19)4)26-29(27-21)18-12-10-17(11-13-18)28(6-2)7-3/h10-15H,5-9H2,1-4H3,(H2,24,25,30,31)