N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-3-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]propionamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O5S/c1-28-16-4-2-3-15(12-16)25-9-8-22-21(25)31-10-7-19(26)24-20(27)23-14-5-6-17-18(11-14)30-13-29-17/h2-6,8-9,11-12H,7,10,13H2,1H3,(H2,23,24,26,27)