1-[7-[(3,4-dichlorophenyl)methyl-pyridin-2-yl-amino]-1-imidazol-1-yl-heptan-3-yl]thiourea

Systemtic Name: 1-[7-[(3,4-dichlorophenyl)methyl-pyridin-2-yl-amino]-1-imidazol-1-yl-heptan-3-yl]thiourea Openeye Name: [5-[(3,4-dichlorophenyl)methyl-(2-pyridyl)amino]-1-(2-imidazol-1-ylethyl)pentyl]thiourea CAS Name: [7-[(3,4-dichlorophenyl)methyl-(2-pyridinyl)amino]-1-(1-imidazolyl)heptan-3-yl]thiourea IUPAC Name: [7-[(3,4-dichlorophenyl)methyl-pyridin-2-ylamino]-1-imidazol-1-ylheptan-3-yl]thiourea Traditional Name: [5-[(3,4-dichlorobenzyl)-(2-pyridyl)amino]-1-(2-imidazol-1-ylethyl)pentyl]thiourea Formula: C23H28Cl2N6S MolecularWeight: 491.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCCC(CCN2C=CN=C2)NC(=S)N)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=NC(=C1)N(CCCCC(CCN2C=CN=C2)NC(=S)N)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H28Cl2N6S/c24-20-8-7-18(15-21(20)25)16-31(22-6-1-3-10-28-22)12-4-2-5-19(29-23(26)32)9-13-30-14-11-27-17-30/h1,3,6-8,10-11,14-15,17,19H,2,4-5,9,12-13,16H2,(H3,26,29,32)