1-(4-methoxyphenyl)-3-[(2-methyl-6-oxidanyl-2-pyridin-1-ium-3-yl-chromen-4-yl)amino]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[(2-methyl-6-oxidanyl-2-pyridin-1-ium-3-yl-chromen-4-yl)amino]thiourea Openeye Name: 1-[(6-hydroxy-2-methyl-2-pyridin-1-ium-3-yl-chromen-4-yl)amino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[[6-hydroxy-2-methyl-2-(3-pyridin-1-iumyl)-1-benzopyran-4-yl]amino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(6-hydroxy-2-methyl-2-pyridin-1-ium-3-ylchromen-4-yl)amino]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(6-hydroxy-2-methyl-2-pyridin-1-ium-3-yl-chromen-4-yl)amino]-3-(4-methoxyphenyl)thiourea Formula: C23H23N4O3S+ MolecularWeight: 435.51872

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(O1)C=CC(=C2)O)NNC(=S)NC3=CC=C(C=C3)OC)C4=C[NH+]=CC=C4

Isomeric SMILES

CC1(C=C(C2=C(O1)C=CC(=C2)O)NNC(=S)NC3=CC=C(C=C3)OC)C4=C[NH+]=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-23(15-4-3-11-24-14-15)13-20(19-12-17(28)7-10-21(19)30-23)26-27-22(31)25-16-5-8-18(29-2)9-6-16/h3-14,26,28H,1-2H3,(H2,25,27,31)/p+1