3-[(2S)-butan-2-yl]-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 3-[(2S)-butan-2-yl]-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1S)-1-methylpropyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-[(2S)-butan-2-yl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-[(2S)-butan-2-yl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-[(1S)-1-methylpropyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C22H33N4O2S+ MolecularWeight: 417.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2S/c1-4-17(3)23-22(29)26(9-8-25-10-12-28-13-11-25)15-19-14-18-7-5-6-16(2)20(18)24-21(19)27/h5-7,14,17H,4,8-13,15H2,1-3H3,(H,23,29)(H,24,27)/p+1/t17-/m0/s1