N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C30H34ClN5O4S MolecularWeight: 596.14006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34ClN5O4S/c1-5-9-10-19-11-13-21(14-12-19)36-34-24-17-22(31)23(18-25(24)35-36)32-30(41)33-29(37)20-15-26(38-6-2)28(40-8-4)27(16-20)39-7-3/h11-18H,5-10H2,1-4H3,(H2,32,33,37,41)