4-[5-[3-(acetamidomethyl)-3,4-dihydro-2H-chromen-6-yl]-1-benzothiophen-3-yl]-N-phenyl-butanamide

Systemtic Name: 4-[5-[3-(acetamidomethyl)-3,4-dihydro-2H-chromen-6-yl]-1-benzothiophen-3-yl]-N-phenyl-butanamide Openeye Name: 4-[5-[3-(acetamidomethyl)chroman-6-yl]benzothiophen-3-yl]-N-phenyl-butanamide CAS Name: 4-[5-[3-(acetamidomethyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-1-benzothiophen-3-yl]-N-phenylbutanamide IUPAC Name: 4-[5-[3-(acetamidomethyl)-3,4-dihydro-2H-chromen-6-yl]-1-benzothiophen-3-yl]-N-phenylbutanamide Traditional Name: 4-[5-[3-(acetamidomethyl)chroman-6-yl]benzothiophen-3-yl]-N-phenyl-butyramide Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CC2=C(C=CC(=C2)C3=CC4=C(C=C3)SC=C4CCCC(=O)NC5=CC=CC=C5)OC1

Isomeric SMILES

CC(=O)NCC1CC2=C(C=CC(=C2)C3=CC4=C(C=C3)SC=C4CCCC(=O)NC5=CC=CC=C5)OC1

InChI

InChI=1S/C30H30N2O3S/c1-20(33)31-17-21-14-25-15-22(10-12-28(25)35-18-21)23-11-13-29-27(16-23)24(19-36-29)6-5-9-30(34)32-26-7-3-2-4-8-26/h2-4,7-8,10-13,15-16,19,21H,5-6,9,14,17-18H2,1H3,(H,31,33)(H,32,34)