4-[[3-(4-hydroxyphenyl)imino-2-oxidanylidene-indol-1-yl]methylamino]-3-propyl-5H-1,3-thiazol-3-ium-2-one

Systemtic Name: 4-[[3-(4-hydroxyphenyl)imino-2-oxidanylidene-indol-1-yl]methylamino]-3-propyl-5H-1,3-thiazol-3-ium-2-one Openeye Name: 4-[[3-(4-hydroxyphenyl)imino-2-oxo-indolin-1-yl]methylamino]-3-propyl-5H-thiazol-3-ium-2-one CAS Name: 4-[[3-(4-hydroxyphenyl)imino-2-oxo-1-indolyl]methylamino]-3-propyl-5H-thiazol-3-ium-2-one IUPAC Name: 4-[[3-(4-hydroxyphenyl)imino-2-oxoindol-1-yl]methylamino]-3-propyl-5H-1,3-thiazol-3-ium-2-one Traditional Name: 4-[[3-(4-hydroxyphenyl)imino-2-keto-indolin-1-yl]methylamino]-3-propyl-3-thiazolin-3-ium-2-one Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(CSC1=O)NCN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)O)C2=O

Isomeric SMILES

CCC[N+]1=C(CSC1=O)NCN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)O)C2=O

InChI

InChI=1S/C21H20N4O3S/c1-2-11-24-18(12-29-21(24)28)22-13-25-17-6-4-3-5-16(17)19(20(25)27)23-14-7-9-15(26)10-8-14/h3-10H,2,11-13H2,1H3,(H,26,27)/p+1