N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C27H24ClN5OS2 MolecularWeight: 534.09536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=C(C5=CC=CC=C5S4)Cl)C

InChI

InChI=1S/C27H24ClN5OS2/c1-3-4-7-17-10-12-18(13-11-17)33-31-21-14-16(2)20(15-22(21)32-33)29-27(35)30-26(34)25-24(28)19-8-5-6-9-23(19)36-25/h5-6,8-15H,3-4,7H2,1-2H3,(H2,29,30,34,35)