1-[4-(1-benzofuran-2-yl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[4-(1-benzofuran-2-yl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[4-(benzofuran-2-yl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[4-(2-benzofuranyl)phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[4-(1-benzofuran-2-yl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[4-(benzofuran-2-yl)phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NC2=CC=C(C=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)NC2=CC=C(C=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O2S/c27-21(22-9-10-24-11-13-25-14-12-24)23-18-7-5-16(6-8-18)20-15-17-3-1-2-4-19(17)26-20/h1-8,15H,9-14H2,(H2,22,23,27)/p+1