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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-13(2)10-20(25)23-16-11-19(28-5)17(12-18(16)27-4)24-21(29)22-14-6-8-15(26-3)9-7-14/h6-9,11-13H,10H2,1-5H3,(H,23,25)(H2,22,24,29)