N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(O1)C2=NC3=CC=CC=C3S2)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=C(O1)C2=NC3=CC=CC=C3S2)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S2/c1-13(29-16-9-6-14(7-10-16)24(26)27)20(25)22-12-15-8-11-18(28-15)21-23-17-4-2-3-5-19(17)30-21/h2-11,13H,12H2,1H3,(H,22,25)