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

Systemtic Name: 2-formamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methylsulfanyl-butanamide Openeye Name: 2-formamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methylsulfanyl-butanamide CAS Name: 2-formamido-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-4-(methylthio)butanamide IUPAC Name: 2-formamido-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-4-methylsulfanylbutanamide Traditional Name: 2-formamido-4-(methylthio)-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]butyramide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C(CCSC)NC=O

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C(CCSC)NC=O

InChI

InChI=1S/C21H23N3O3S3/c1-27-18-6-4-3-5-14(18)12-29-21-24-16-8-7-15(11-19(16)30-21)23-20(26)17(22-13-25)9-10-28-2/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,22,25)(H,23,26)