N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S2/c1-16-8-13-21-22(14-16)32-25(27-21)28-24(30)17(2)31-20-11-9-19(10-12-20)26-23(29)15-18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,26,29)(H,27,28,30)