N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(3,4-dimethylphenyl)-2-furancarboxamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-5-(3,4-dimethylphenyl)-2-furamide Formula: C30H29N5O2S MolecularWeight: 523.64856

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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=C(O4)C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C30H29N5O2S/c1-4-5-6-21-8-12-24(13-9-21)35-33-25-14-11-23(18-26(25)34-35)31-30(38)32-29(36)28-16-15-27(37-28)22-10-7-19(2)20(3)17-22/h7-18H,4-6H2,1-3H3,(H2,31,32,36,38)