1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4OS2/c27-21(22-9-4-10-25-11-13-26-14-12-25)23-17-6-3-5-16(15-17)20-24-18-7-1-2-8-19(18)28-20/h1-3,5-8,15H,4,9-14H2,(H2,22,23,27)/p+1