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

Systemtic Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[2-(4-methoxyphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C19H21N5O2S MolecularWeight: 383.46734

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-12(2)10-18(25)21-19(27)20-13-4-9-16-17(11-13)23-24(22-16)14-5-7-15(26-3)8-6-14/h4-9,11-12H,10H2,1-3H3,(H2,20,21,25,27)