1-[[5,7-bis(chloranyl)-2-oxidanylidene-indol-1-ium-3-yl]amino]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[[5,7-bis(chloranyl)-2-oxidanylidene-indol-1-ium-3-yl]amino]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[(5,7-dichloro-2-oxo-indol-1-ium-3-yl)amino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[(5,7-dichloro-2-oxo-3-indol-1-iumyl)amino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(5,7-dichloro-2-oxoindol-1-ium-3-yl)amino]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(5,7-dichloro-2-keto-indol-1-ium-3-yl)amino]-3-(4-methoxyphenyl)thiourea Formula: C16H13Cl2N4O2S+ MolecularWeight: 396.27102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC2=C3C=C(C=C(C3=[NH+]C2=O)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC2=C3C=C(C=C(C3=[NH+]C2=O)Cl)Cl

InChI

InChI=1S/C16H12Cl2N4O2S/c1-24-10-4-2-9(3-5-10)19-16(25)22-21-14-11-6-8(17)7-12(18)13(11)20-15(14)23/h2-7H,1H3,(H2,19,22,25)(H,20,21,23)/p+1