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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]propionamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O3S/c1-13-4-3-5-16(10-13)23-9-8-21-20(23)27-14(2)19(24)22-15-6-7-17-18(11-15)26-12-25-17/h3-11,14H,12H2,1-2H3,(H,22,24)