1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

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