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

Systemtic Name: 1-cyclohexyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]urea Openeye Name: 1-cyclohexyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]urea CAS Name: 1-cyclohexyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]urea IUPAC Name: 1-cyclohexyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]urea Traditional Name: 1-cyclohexyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]urea Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H29N3OS/c26-22(24-20-8-2-1-3-9-20)23-14-21(19-11-13-27-16-19)25-12-10-17-6-4-5-7-18(17)15-25/h4-7,11,13,16,20-21H,1-3,8-10,12,14-15H2,(H2,23,24,26)