(1Z)-1-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]-3-(cyclohexylideneamino)thiourea

Systemtic Name: (1Z)-1-[5-bromanyl-2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]-3-(cyclohexylideneamino)thiourea Openeye Name: (1Z)-1-[5-bromo-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]-3-(cyclohexylideneamino)thiourea CAS Name: (1Z)-1-[5-bromo-2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]-3-(cyclohexylideneamino)thiourea IUPAC Name: (1Z)-1-[5-bromo-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]-3-(cyclohexylideneamino)thiourea Traditional Name: (1Z)-1-[5-bromo-2-keto-1-(piperidinomethyl)indolin-3-ylidene]-3-(cyclohexylideneamino)thiourea Formula: C21H26BrN5OS MolecularWeight: 476.43304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NNC(=S)N=C2C3=C(C=CC(=C3)Br)N(C2=O)CN4CCCCC4)CC1

Isomeric SMILES

C1CCC(=NNC(=S)/N=C\2/C3=C(C=CC(=C3)Br)N(C2=O)CN4CCCCC4)CC1

InChI

InChI=1S/C21H26BrN5OS/c22-15-9-10-18-17(13-15)19(20(28)27(18)14-26-11-5-2-6-12-26)23-21(29)25-24-16-7-3-1-4-8-16/h9-10,13H,1-8,11-12,14H2,(H,25,29)/b23-19-