3-ethyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 3-ethyl-1-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-ethyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-ethyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-ethyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 3-ethyl-1-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=C(C=C3)C)NC2=O

Isomeric SMILES

CCNC(=S)N(CC[NH+]1CCOCC1)CC2=CC3=C(C=C(C=C3)C)NC2=O

InChI

InChI=1S/C20H28N4O2S/c1-3-21-20(27)24(7-6-23-8-10-26-11-9-23)14-17-13-16-5-4-15(2)12-18(16)22-19(17)25/h4-5,12-13H,3,6-11,14H2,1-2H3,(H,21,27)(H,22,25)/p+1