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

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methylbutanamide Traditional Name: 3-methyl-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]butyramide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C20H23N5O2S/c1-4-27-16-8-6-15(7-9-16)25-23-17-10-5-14(12-18(17)24-25)21-20(28)22-19(26)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H2,21,22,26,28)