2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-N-(4-phenoxyphenyl)propionamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C23H21N3O2S2/c1-15(24-17-10-13-20-21(14-17)30-23(26-20)29-2)22(27)25-16-8-11-19(12-9-16)28-18-6-4-3-5-7-18/h3-15,24H,1-2H3,(H,25,27)