N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-12(25-14-8-6-13(7-9-14)21(23)24)18(22)19-11-10-17-20-15-4-2-3-5-16(15)26-17/h2-9,12H,10-11H2,1H3,(H,19,22)