1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-[(4-dimethylaminophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-(2-oxolanylmethyl)thiourea IUPAC Name: 1-[(4-dimethylaminophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-[4-(dimethylamino)benzyl]-1-(3-imidazol-1-ylpropyl)-3-(tetrahydrofurfuryl)thiourea Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3CCCO3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(CCCN2C=CN=C2)C(=S)NCC3CCCO3

InChI

InChI=1S/C21H31N5OS/c1-24(2)19-8-6-18(7-9-19)16-26(12-4-11-25-13-10-22-17-25)21(28)23-15-20-5-3-14-27-20/h6-10,13,17,20H,3-5,11-12,14-16H2,1-2H3,(H,23,28)