3-bromanyl-5-methoxy-4-propoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide

Systemtic Name: 3-bromanyl-5-methoxy-4-propoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide Openeye Name: 3-bromo-5-methoxy-4-propoxy-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-bromo-5-methoxy-4-propoxy-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-bromo-5-methoxy-4-propoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide Traditional Name: 3-bromo-5-methoxy-4-propoxy-N-[2-pyrrolidino-2-(2-thienyl)ethyl]benzamide Formula: C21H27BrN2O3S MolecularWeight: 467.41968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NCC(C2=CC=CS2)N3CCCC3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NCC(C2=CC=CS2)N3CCCC3)OC

InChI

InChI=1S/C21H27BrN2O3S/c1-3-10-27-20-16(22)12-15(13-18(20)26-2)21(25)23-14-17(19-7-6-11-28-19)24-8-4-5-9-24/h6-7,11-13,17H,3-5,8-10,14H2,1-2H3,(H,23,25)