N-[(1R)-1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-ethyl-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-ethyl-5-methyl-thiophene-2-carboxamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-4-ethyl-5-methyl-thiophene-2-carboxamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]-4-ethyl-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpropyl]-4-ethyl-5-methylthiophene-2-carboxamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]-4-ethyl-5-methyl-thiophene-2-carboxamide Formula: C19H22N2OS3 MolecularWeight: 390.58578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N[C@H](CCSC)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H22N2OS3/c1-4-13-11-17(24-12(13)2)18(22)20-15(9-10-23-3)19-21-14-7-5-6-8-16(14)25-19/h5-8,11,15H,4,9-10H2,1-3H3,(H,20,22)/t15-/m1/s1