1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholinopropyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-[3-(4-morpholinyl)propyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-morpholin-4-ylpropyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-(3-morpholinopropyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C26H40N5O3S+ MolecularWeight: 502.6925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=S)NCCCN4CCOCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=S)NCCCN4CCOCC4

InChI

InChI=1S/C26H39N5O3S/c1-2-34-23-6-7-24-21(19-23)18-22(25(32)28-24)20-31(13-12-29-9-3-4-10-29)26(35)27-8-5-11-30-14-16-33-17-15-30/h6-7,18-19H,2-5,8-17,20H2,1H3,(H,27,35)(H,28,32)/p+1