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

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea Openeye Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea CAS Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethylthiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-phenethyl-thiourea Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-20-6-5-9-22-18-23(25(31)28-24(20)22)19-30(13-12-29-14-16-32-17-15-29)26(33)27-11-10-21-7-3-2-4-8-21/h2-9,18H,10-17,19H2,1H3,(H,27,33)(H,28,31)/p+1