N-(3,5-dimethoxyphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,5-dimethoxyphenyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(3,5-dimethoxyphenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,5-dimethoxyphenyl)propanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(3,5-dimethoxyphenyl)propionamide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C26H27N3O4S2/c1-16(30)18-8-10-19(11-9-18)28-26(34)29-20-6-5-7-24(14-20)35-17(2)25(31)27-21-12-22(32-3)15-23(13-21)33-4/h5-15,17H,1-4H3,(H,27,31)(H2,28,29,34)