N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N5OS2/c1-2-3-5-15-7-10-17(11-8-15)27-25-18-12-9-16(14-19(18)26-27)23-22(29)24-21(28)20-6-4-13-30-20/h4,6-14H,2-3,5H2,1H3,(H2,23,24,28,29)