1-[(Z)-[5-fluoranyl-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-phenyl-thiourea

Systemtic Name: 1-[(Z)-[5-fluoranyl-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-phenyl-thiourea Openeye Name: 1-[(Z)-[5-fluoro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-3-phenyl-thiourea CAS Name: 1-[(Z)-[5-fluoro-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]-3-phenylthiourea IUPAC Name: 1-[(Z)-[5-fluoro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-3-phenylthiourea Traditional Name: 1-[(Z)-[5-fluoro-2-keto-1-(piperidinomethyl)indolin-3-ylidene]amino]-3-phenyl-thiourea Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C3=C(C=C(C=C3)F)C(=NNC(=S)NC4=CC=CC=C4)C2=O

Isomeric SMILES

C1CCN(CC1)CN2C3=C(C=C(C=C3)F)/C(=N/NC(=S)NC4=CC=CC=C4)/C2=O

InChI

InChI=1S/C21H22FN5OS/c22-15-9-10-18-17(13-15)19(20(28)27(18)14-26-11-5-2-6-12-26)24-25-21(29)23-16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H2,23,25,29)/b24-19-