N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide

Systemtic Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Traditional Name: N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-5-6-20(27)23-21(28)22-17-12-19-18(11-14(17)4)24-26(25-19)16-9-7-15(8-10-16)13(2)3/h7-13H,5-6H2,1-4H3,(H2,22,23,27,28)