5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-3-(3-imidazol-1-ylpropyl)-4-thiophen-3-yl-4H-imidazol-2-one

Systemtic Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]amino]-3-(3-imidazol-1-ylpropyl)-4-thiophen-3-yl-4H-imidazol-2-one Openeye Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]amino]-3-(3-imidazol-1-ylpropyl)-4-(3-thienyl)-4H-imidazol-2-one CAS Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-3-[3-(1-imidazolyl)propyl]-4-(3-thiophenyl)-4H-imidazol-2-one IUPAC Name: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-3-(3-imidazol-1-ylpropyl)-4-thiophen-3-yl-4H-imidazol-2-one Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]amino]-1-(3-imidazol-1-ylpropyl)-5-(3-thienyl)-3-imidazolin-2-one Formula: C24H26N6O2S MolecularWeight: 462.56724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CNC3=NC(=O)N(C3C4=CSC=C4)CCCN5C=CN=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CNC3=NC(=O)N(C3C4=CSC=C4)CCCN5C=CN=C5

InChI

InChI=1S/C24H26N6O2S/c31-21(29-11-6-18-4-1-2-5-19(18)15-29)14-26-23-22(20-7-13-33-16-20)30(24(32)27-23)10-3-9-28-12-8-25-17-28/h1-2,4-5,7-8,12-13,16-17,22H,3,6,9-11,14-15H2,(H,26,27,32)