1-[(7-chloranyl-6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea

Systemtic Name: 1-[(7-chloranyl-6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea Openeye Name: 1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea CAS Name: 1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(7-chloro-6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethylthiourea Traditional Name: 1-[(7-chloro-2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea Formula: C26H32ClN4O2S+ MolecularWeight: 500.07588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H31ClN4O2S/c1-19-15-21-16-22(25(32)29-24(21)17-23(19)27)18-31(10-9-30-11-13-33-14-12-30)26(34)28-8-7-20-5-3-2-4-6-20/h2-6,15-17H,7-14,18H2,1H3,(H,28,34)(H,29,32)/p+1