N-[4-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]butanamide

Systemtic Name: N-[4-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]butanamide Openeye Name: N-[4-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]phenyl]butanamide CAS Name: N-[4-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]butanamide IUPAC Name: N-[4-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]butanamide Traditional Name: N-[4-[[3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]amino]phenyl]butyramide Formula: C23H25BrN2O3S MolecularWeight: 489.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CS3)OC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)Br)OCC3=CC=CS3)OC

InChI

InChI=1S/C23H25BrN2O3S/c1-3-5-22(27)26-18-9-7-17(8-10-18)25-14-16-12-20(24)23(21(13-16)28-2)29-15-19-6-4-11-30-19/h4,6-13,25H,3,5,14-15H2,1-2H3,(H,26,27)