N-[2,5-dimethoxy-4-[(3-methoxyphenyl)carbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[2,5-dimethoxy-4-[(3-methoxyphenyl)carbamothioylamino]phenyl]pentanamide Openeye Name: N-[2,5-dimethoxy-4-[(3-methoxyphenyl)carbamothioylamino]phenyl]pentanamide CAS Name: N-[2,5-dimethoxy-4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[2,5-dimethoxy-4-[(3-methoxyphenyl)carbamothioylamino]phenyl]pentanamide Traditional Name: N-[2,5-dimethoxy-4-[(3-methoxyphenyl)thiocarbamoylamino]phenyl]valeramide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1OC)NC(=S)NC2=CC(=CC=C2)OC)OC

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1OC)NC(=S)NC2=CC(=CC=C2)OC)OC

InChI

InChI=1S/C21H27N3O4S/c1-5-6-10-20(25)23-16-12-19(28-4)17(13-18(16)27-3)24-21(29)22-14-8-7-9-15(11-14)26-2/h7-9,11-13H,5-6,10H2,1-4H3,(H,23,25)(H2,22,24,29)