N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-3-propoxy-benzamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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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(=CC=C4)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2S/c1-3-5-7-19-10-13-22(14-11-19)32-30-24-15-12-21(18-25(24)31-32)28-27(35)29-26(33)20-8-6-9-23(17-20)34-16-4-2/h6,8-15,17-18H,3-5,7,16H2,1-2H3,(H2,28,29,33,35)