1-(3-chloranyl-4-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]urea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]urea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiazol-2-yl]urea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-thiazolyl]urea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]urea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)thiazol-2-yl]urea Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=NC(=CS2)CN3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=NC(=CS2)CN3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-14-6-7-17(10-19(14)22)23-20(27)25-21-24-18(13-28-21)12-26-9-8-15-4-2-3-5-16(15)11-26/h2-7,10,13H,8-9,11-12H2,1H3,(H2,23,24,25,27)