1-(3-chloranyl-2-methyl-phenyl)-3-[[1-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[[1-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[1-(morpholin-4-ium-4-ylmethyl)-2-oxo-indolin-3-ylidene]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[1-(4-morpholin-4-iumylmethyl)-2-oxo-3-indolylidene]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[[1-(morpholin-4-ium-4-ylmethyl)-2-oxoindol-3-ylidene]amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[[2-keto-1-(morpholin-4-ium-4-ylmethyl)indolin-3-ylidene]amino]thiourea Formula: C21H23ClN5O2S+ MolecularWeight: 444.95762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCOCC4

InChI

InChI=1S/C21H22ClN5O2S/c1-14-16(22)6-4-7-17(14)23-21(30)25-24-19-15-5-2-3-8-18(15)27(20(19)28)13-26-9-11-29-12-10-26/h2-8H,9-13H2,1H3,(H2,23,25,30)/p+1