1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C26H41N5O3S+2 MolecularWeight: 503.70044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCC[NH+]3CCOCC3)C(=S)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C26H39N5O3S/c1-21-5-2-6-22-19-23(25(32)28-24(21)22)20-31(10-4-9-30-13-17-34-18-14-30)26(35)27-7-3-8-29-11-15-33-16-12-29/h2,5-6,19H,3-4,7-18,20H2,1H3,(H,27,35)(H,28,32)/p+2