2-formamido-4-methylsulfanyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: 2-formamido-4-methylsulfanyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]butanamide Openeye Name: 2-formamido-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-4-methylsulfanyl-butanamide CAS Name: 2-formamido-4-(methylthio)-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 2-formamido-4-methylsulfanyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]butanamide Traditional Name: 2-formamido-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-(methylthio)butyramide Formula: C18H25N3O2S4 MolecularWeight: 443.67

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CCSC)NC=O

InChI

InChI=1S/C18H25N3O2S4/c1-12(2)25-8-9-26-18-21-14-5-4-13(10-16(14)27-18)20-17(23)15(19-11-22)6-7-24-3/h4-5,10-12,15H,6-9H2,1-3H3,(H,19,22)(H,20,23)