1-(3-morpholin-4-ium-4-ylpropyl)-3-[(E)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(E)-(2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]thiourea Openeye Name: 1-[(E)-(1-allyl-2-oxo-indolin-3-ylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(E)-(2-oxo-1-prop-2-enyl-3-indolylidene)amino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(E)-(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea Traditional Name: 1-[(E)-(1-allyl-2-keto-indolin-3-ylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C19H26N5O2S+ MolecularWeight: 388.50704

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C(=NNC(=S)NCCC[NH+]3CCOCC3)C1=O

Isomeric SMILES

C=CCN1C2=CC=CC=C2/C(=N\NC(=S)NCCC[NH+]3CCOCC3)/C1=O

InChI

InChI=1S/C19H25N5O2S/c1-2-9-24-16-7-4-3-6-15(16)17(18(24)25)21-22-19(27)20-8-5-10-23-11-13-26-14-12-23/h2-4,6-7H,1,5,8-14H2,(H2,20,22,27)/p+1/b21-17+