3-butoxy-N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C26H26ClN5O3S MolecularWeight: 524.03434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C26H26ClN5O3S/c1-4-5-11-35-19-8-6-7-17(13-19)25(33)29-26(36)28-21-15-23-22(12-16(21)2)30-32(31-23)18-9-10-24(34-3)20(27)14-18/h6-10,12-15H,4-5,11H2,1-3H3,(H2,28,29,33,36)