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

Systemtic Name: 3-methyl-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]-3-methyl-butanamide CAS Name: 3-methyl-N-[[[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(6-methyl-2-p-cumenyl-benzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC(C)C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC(C)C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H27N5OS/c1-13(2)10-21(28)24-22(29)23-18-12-20-19(11-15(18)5)25-27(26-20)17-8-6-16(7-9-17)14(3)4/h6-9,11-14H,10H2,1-5H3,(H2,23,24,28,29)