N-(2,6-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]propionamide Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C25H27N3O2S2/c1-16-9-7-10-17(2)23(16)28-24(29)18(3)32-20-12-8-11-19(15-20)26-25(31)27-21-13-5-6-14-22(21)30-4/h5-15,18H,1-4H3,(H,28,29)(H2,26,27,31)