1-(4-butylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Openeye Name: 1-(4-butylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea CAS Name: 1-[[(4-butylanilino)-sulfanylidenemethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Traditional Name: 1-(4-butylphenyl)-3-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)thiourea Formula: C18H30N5OS2+ MolecularWeight: 396.5937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C18H29N5OS2/c1-2-3-4-15-5-7-16(8-6-15)20-18(26)22-21-17(25)19-9-10-23-11-13-24-14-12-23/h5-8H,2-4,9-14H2,1H3,(H2,19,21,25)(H2,20,22,26)/p+1