2-[[4-(1,3-benzodioxol-5-yl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-thiophenyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-yl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21N3O3S/c1-12(2)7-15(19(23)21-6-5-20)22-16-10-26-9-14(16)13-3-4-17-18(8-13)25-11-24-17/h3-4,8-10,12,15,22H,6-7,11H2,1-2H3,(H,21,23)