1-[[3-(4-methylphenyl)thiophen-2-yl]carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[[3-(4-methylphenyl)thiophen-2-yl]carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[3-(p-tolyl)thiophene-2-carbonyl]amino]thiourea CAS Name: 1-[[[3-(4-methylphenyl)-2-thiophenyl]-oxomethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[[3-(p-tolyl)thiophene-2-carbonyl]amino]thiourea Formula: C20H27N4O2S2+ MolecularWeight: 419.58398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NNC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H26N4O2S2/c1-15-3-5-16(6-4-15)17-7-14-28-18(17)19(25)22-23-20(27)21-8-2-9-24-10-12-26-13-11-24/h3-7,14H,2,8-13H2,1H3,(H,22,25)(H2,21,23,27)/p+1