3-(5-nitrofuran-2-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide

Systemtic Name: 3-(5-nitrofuran-2-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)prop-2-enamide CAS Name: 3-(5-nitro-2-furanyl)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-propenamide IUPAC Name: 3-(5-nitrofuran-2-yl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)acrylamide Formula: C19H19N3O4S3 MolecularWeight: 449.56686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S3/c1-12(2)27-9-10-28-19-21-15-6-3-13(11-16(15)29-19)20-17(23)7-4-14-5-8-18(26-14)22(24)25/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)