N-(3-methoxypropyl)-4-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-methoxypropyl)-4-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-methoxypropyl)-4-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-(3-methoxypropyl)-4-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methoxypropyl)-4-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3-methoxypropyl)-4-[[4-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O5S/c1-33-17-5-16-28-25(31)20-8-12-22(13-9-20)29-27(36)30-26(32)21-10-14-24(15-11-21)35-19-18-34-23-6-3-2-4-7-23/h2-4,6-15H,5,16-19H2,1H3,(H,28,31)(H2,29,30,32,36)