N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C18H18FN5OS MolecularWeight: 371.431823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN5OS/c1-11(2)9-17(25)21-18(26)20-13-5-8-15-16(10-13)23-24(22-15)14-6-3-12(19)4-7-14/h3-8,10-11H,9H2,1-2H3,(H2,20,21,25,26)