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

Systemtic Name: 1-[4-[(3,4-dichlorophenyl)methyl-pyridin-2-yl-amino]butyl]-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[4-[(3,4-dichlorophenyl)methyl-(2-pyridyl)amino]butyl]-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[4-[(3,4-dichlorophenyl)methyl-(2-pyridinyl)amino]butyl]-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[4-[(3,4-dichlorophenyl)methyl-pyridin-2-ylamino]butyl]-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[4-[(3,4-dichlorobenzyl)-(2-pyridyl)amino]butyl]-3-(3-imidazol-1-ylpropyl)thiourea Formula: C23H28Cl2N6S MolecularWeight: 491.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCCNC(=S)NCCCN2C=CN=C2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=NC(=C1)N(CCCCNC(=S)NCCCN2C=CN=C2)CC3=CC(=C(C=C3)Cl)Cl

InChI

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