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

Systemtic Name: 2-formamido-4-methylsulfanyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]butanamide Openeye Name: 2-formamido-4-methylsulfanyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]butanamide CAS Name: 2-formamido-4-(methylthio)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 2-formamido-4-methylsulfanyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]butanamide Traditional Name: 2-formamido-4-(methylthio)-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]butyramide Formula: C19H21N3O2S4 MolecularWeight: 451.64894

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3)NC=O

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3=CSC=C3)NC=O

InChI

InChI=1S/C19H21N3O2S4/c1-25-7-6-16(20-12-23)18(24)21-14-2-3-15-17(10-14)28-19(22-15)27-9-5-13-4-8-26-11-13/h2-4,8,10-12,16H,5-7,9H2,1H3,(H,20,23)(H,21,24)