5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]thiophene-3-carboxamide

Systemtic Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-oxidanyl-ethyl]thiophene-3-carboxamide Openeye Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]thiophene-3-carboxamide CAS Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-3-thiophenecarboxamide IUPAC Name: 5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]thiophene-3-carboxamide Traditional Name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methyl-propyl]amino]-1-hydroxy-ethyl]thiophene-3-carboxamide Formula: C18H22N2O4S MolecularWeight: 362.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=CS3)C(=O)N)O

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=CS3)C(=O)N)O

InChI

InChI=1S/C18H22N2O4S/c1-11(2-3-12-4-5-15-16(6-12)24-10-23-15)20-8-14(21)17-7-13(9-25-17)18(19)22/h4-7,9,11,14,20-21H,2-3,8,10H2,1H3,(H2,19,22)