N-[2-[2-(3-methylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-[2-(3-methylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: N-[2-[2-(3-methylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide CAS Name: N-[2-[2-(3-methylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-[2-(3-methylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: N-[2-[2-(3-methylphenoxy)ethylthio]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C21H18N2O2S3 MolecularWeight: 426.57482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O2S3/c1-14-4-2-5-16(12-14)25-9-11-27-21-23-17-8-7-15(13-19(17)28-21)22-20(24)18-6-3-10-26-18/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)