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

Systemtic Name: 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-3-(4-methylphenyl)urea Openeye Name: 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-3-(p-tolyl)urea CAS Name: 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3-(4-methylphenyl)urea IUPAC Name: 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3-(4-methylphenyl)urea Traditional Name: 1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-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=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC[C@H](C2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N3OS/c1-17-8-10-20(11-9-17)25-23(27)24-15-21(22-7-4-14-28-22)26-13-12-18-5-2-3-6-19(18)16-26/h2-11,14,21H,12-13,15-16H2,1H3,(H2,24,25,27)/t21-/m1/s1