1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H25N5OS/c28-21(22-10-3-11-26-12-14-27-15-13-26)23-17-8-6-16(7-9-17)20-24-18-4-1-2-5-19(18)25-20/h1-2,4-9H,3,10-15H2,(H,24,25)(H2,22,23,28)/p+1