1-[[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-5-methyl-1,2-oxazol-3-yl]carbonylamino]-3-methyl-thiourea

Systemtic Name: 1-[[4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-5-methyl-1,2-oxazol-3-yl]carbonylamino]-3-methyl-thiourea Openeye Name: 1-[[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-5-methyl-isoxazole-3-carbonyl]amino]-3-methyl-thiourea CAS Name: 1-[[[4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-methyl-3-isoxazolyl]-oxomethyl]amino]-3-methylthiourea IUPAC Name: 1-[[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-5-methyl-1,2-oxazole-3-carbonyl]amino]-3-methylthiourea Traditional Name: 1-[[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-5-methyl-isoxazole-3-carbonyl]amino]-3-methyl-thiourea Formula: C25H29N6O3S+ MolecularWeight: 493.60116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C(=O)NNC(=S)NC)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C(=O)NNC(=S)NC)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O3S/c1-17-20(21(29-34-17)23(32)27-28-25(35)26-2)24(33)31-15-13-30(14-16-31)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,22H,13-16H2,1-2H3,(H,27,32)(H2,26,28,35)/p+1