1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]urea Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H31N3OS/c1-26(2,3)22-8-10-23(11-9-22)28-25(30)27-16-24(21-13-15-31-18-21)29-14-12-19-6-4-5-7-20(19)17-29/h4-11,13,15,18,24H,12,14,16-17H2,1-3H3,(H2,27,28,30)