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

Systemtic Name: 1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC

InChI

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