3-butoxy-N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]benzamide

Systemtic Name: 3-butoxy-N-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]benzamide Openeye Name: 3-butoxy-N-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]benzamide CAS Name: 3-butoxy-N-[4-[[(5-chloro-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-butoxy-N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]benzamide Traditional Name: 3-butoxy-N-[4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]benzamide Formula: C26H28ClN3O4S MolecularWeight: 514.03622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C26H28ClN3O4S/c1-4-5-13-34-20-8-6-7-17(14-20)25(31)28-18-9-11-19(12-10-18)29-26(35)30-22-15-21(27)23(32-2)16-24(22)33-3/h6-12,14-16H,4-5,13H2,1-3H3,(H,28,31)(H2,29,30,35)