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

Systemtic Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3-(4-methylphenyl)urea Openeye Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-(p-tolyl)urea CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-(4-methylphenyl)urea Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-(p-tolyl)urea Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N3OS/c1-17-6-8-21(9-7-17)25-23(27)24-14-22(20-11-13-28-16-20)26-12-10-18-4-2-3-5-19(18)15-26/h2-9,11,13,16,22H,10,12,14-15H2,1H3,(H2,24,25,27)