N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-14(30-18-12-10-17(11-13-18)25(27)28)21(26)23-16-8-6-15(7-9-16)22-24-19-4-2-3-5-20(19)29-22/h2-14H,1H3,(H,23,26)