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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OC)SC3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S2/c1-16(24(30)28-25-27-21-13-10-19(31-2)15-22(21)33-25)32-20-11-8-18(9-12-20)26-23(29)14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H,26,29)(H,27,28,30)