N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S2/c1-13-12-18(24-26-13)23-19(25)14(2)28-17-10-8-16(9-11-17)22-20(27)21-15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,21,22,27)(H,23,24,25)