2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-phenoxyphenyl)butyramide Formula: C30H29N3O3S2 MolecularWeight: 543.69956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

InChI

InChI=1S/C30H29N3O3S2/c1-3-28(29(34)31-21-16-18-24(19-17-21)36-23-11-5-4-6-12-23)38-25-13-9-10-22(20-25)32-30(37)33-26-14-7-8-15-27(26)35-2/h4-20,28H,3H2,1-2H3,(H,31,34)(H2,32,33,37)